SCHEMBL7356338

SCHEMBL7356338

CC(C)(C)OC(=O)NCc1cccc2ccc(C(=O)O)cc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.58
KDM4A O75164 1/20 0.47
MTNR1A P48039 4/20 0.44
MTNR1B P49286 2/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
PLA2G2D Q9UNK4 1/20 0.43
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC1 Q13547 1/20 0.41
CA2 P00918 1/20 0.41
KCNA5 P22460 1/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15862351 0.80 EPHX2 (0.51) NQO2KDM4AHDAC10HDAC6HDAC1
SCHEMBL13656743 0.80 NQO2 (0.51) NQO2KDM4ACTSSCTSKHDAC10
SCHEMBL16790458 0.79 EPHX2 (0.48) KDM4AHDAC10HDAC6HDAC1KCNA5
SCHEMBL1495979 0.78 EPHX2 (0.64) KDM4AHDAC10HDAC6HDAC1KCNA5
SCHEMBL4846717 0.78 NQO2 (0.47) NQO2KDM4AMTNR1AMTNR1BCTSS
SCHEMBL7348110 0.78 KDM4A (0.49) NQO2KDM4ACTSSCTSKHDAC10
SCHEMBL24002309 0.78 EPHX2 (0.44) NQO2KDM4AHDAC10HDAC6HDAC1
SCHEMBL8650218 0.77 NQO2 (0.51) NQO2KDM4AMTNR1ACTSSCTSK
SCHEMBL31710569 0.77 KCNA5 (0.50) KDM4AHDAC1KCNA5ACACBACACA
SCHEMBL17059395 0.77 NR1H4 (0.48) KDM4AHDAC10HDAC6HDAC1KCNA5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0692982-B1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS DU PONT PHARM CO (US) 2000-07-05 EP disclosed
EP-0995761-A2 Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders Dupont Pharmaceuticals Company (US) 2000-04-26 EP disclosed
US-6022523-A NOVEL CYCLIC COMPOUNDS CONTAINING CARBOCYCLIC AND HETEROCYCLIC RING SYSTEMS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-08 US disclosed
EP-0625164-B1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa DU PONT MERCK PHARMA (US) 1999-04-07 EP disclosed
US-5879657-A Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1999-03-09 US disclosed
EP-0692982-A4 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS DU PONT MERCK PHARMA (US) 1998-03-11 EP disclosed
US-5635477-A CYCLIC TETRAPEPTIDE DERIVATIVE FUSED TO A BENZENE RING; ANTICOAGULANTS; THROMBOLYTICS; CLOT LYSIS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-03 US disclosed
CN-1122577-A Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders DU PONT MERCK PHARMA (US) 1996-05-15 CN disclosed
EP-0699209-A1 PROCESSES AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF PLATELET GLYCOPROTEIN IIb/IIIa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-03-06 EP disclosed
EP-0692982-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-24 EP disclosed
EP-0691987-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-17 EP disclosed
WO-1995023811-A1 NOVEL CARBOCYCLIC COMPOUNDS WHICH INHIBIT PLATELET AGGREGATION BY INTERACTION WITH THE GPIIB/IIIA RECEPTOR COMPLEX THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-09-08 WO disclosed
WO-1994026779-A1 PROCESSES AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF PLATELET GLYCOPROTEIN IIb/IIIa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-11-24 WO disclosed
EP-0625164-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-11-23 EP disclosed
WO-1994022494-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO disclosed
WO-1994022910-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO disclosed
WO-1993007170-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-04-15 WO disclosed