SCHEMBL3923935

SCHEMBL3923935

CCC(NC(=O)c1ccccc1)(C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
CXCR2 P25025 1/20 0.48
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
HDAC1 Q13547 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
NAAA Q02083 1/20 0.41
EPHX1 P07099 1/20 0.41
HDAC3 O15379 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
IDO1 P14902 1/20 0.41
ALOX15 P16050 1/20 0.41
CA9 Q16790 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL16245082 0.92 POLB (0.46) POLBCXCR2CYP2C9CYP3A4CYP2C19
SCHEMBL9829581 0.83 CXCR2 (0.42) CXCR2CYP3A4CYP2C19HDAC1HDAC3
SCHEMBL9829583 0.83 CXCR2 (0.42) CXCR2CYP3A4CYP2C19HDAC1HDAC3
SCHEMBL9832063 0.83 SMN1; SMN2 (0.44) POLBMMP2MMP13GAASMN1; SMN2
SCHEMBL9832057 0.83 SMN1; SMN2 (0.44) POLBMMP2MMP13GAASMN1; SMN2
SCHEMBL18112741 0.81 KMT2A (0.43) CXCR2CYP3A4CYP2C19HDAC1HDAC3
SCHEMBL193093 0.80 KCNN4 (0.44) CXCR2CYP2C19HDAC1GAASMN1; SMN2
SCHEMBL14062322 0.79 KMT2A (0.47) CXCR2GAASMN1; SMN2LMNARAB9A
SCHEMBL14306296 0.79 KCNN4 (0.43) CXCR2CYP2C19HDAC1HDAC3HDAC7
SCHEMBL4450821 0.79 KCNN4 (0.43) CXCR2CYP2C19HDAC1HDAC3HDAC7

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420424-B1 ADMINISTERING PHENYLALANINE AMIDE DERIVATIVES (SUCH AS S-ETHYL-2-AMINO-3-(4-CHLOROPHENYL)PROPIONATE HYDROCHLORIDE) TO TREAT ALLERGIC DISORDERS, INCLUDING ASTHMA, RHINITIS, DERMATITUS, AND PRURITIS SMITHKLINE BEECHAM CORPORATION 2002-07-16 US claimed
JP-2002512960-A 2002-05-08 JP claimed
EP-1073434-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-07 EP claimed
WO-1999055330-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 WO claimed
EP-1691199-B1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO CO LTD (JP) 2009-04-01 EP disclosed
US-20070249915-A1 Inhibitors SHISEIDO COMPANY, LTD. (JP) 2007-10-25 US disclosed
EP-1691199-A1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO COMPANY LIMITED (JP) 2006-08-16 EP disclosed
US-6420424-B1 ADMINISTERING PHENYLALANINE AMIDE DERIVATIVES (SUCH AS S-ETHYL-2-AMINO-3-(4-CHLOROPHENYL)PROPIONATE HYDROCHLORIDE) TO TREAT ALLERGIC DISORDERS, INCLUDING ASTHMA, RHINITIS, DERMATITUS, AND PRURITIS SMITHKLINE BEECHAM CORPORATION 2002-07-16 US disclosed
EP-1073434-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-07 EP disclosed
WO-1999055330-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 WO disclosed