SCHEMBL7000095

SCHEMBL7000095

CCOC(=O)CC(=O)Nc1ccccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
POLB P06746 1/20 0.67
KMT2A Q03164 4/20 0.63
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 2/20 0.56
TSHR P16473 1/20 0.56
MAPK10 P53779 1/20 0.56
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 1/20 0.55
CTSK P43235 1/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
HCAR2 Q8TDS4 1/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL6997819 0.88 KDM4E (0.63) KDM4EPOLBKMT2ACYP2C9HPGD
SCHEMBL15369533 0.87 KMT2A (0.74) KDM4EKMT2AHSD17B10TSHRMAPK10
SCHEMBL12879817 0.86 KMT2A (0.69) KDM4EPOLBKMT2ACYP2C9HPGD
SCHEMBL10489819 0.83 KMT2A (0.63) KDM4EPOLBKMT2ACYP2C9HPGD
SCHEMBL11190983 0.83 SMN1; SMN2 (0.62) KMT2AHPGDHSD17B10ALDH1A1MAPT
SCHEMBL5845293 0.83 KDM4E (0.49) KDM4EPOLBKMT2AHPGDHSD17B10
SCHEMBL10501327 0.82 KMT2A (0.83) KDM4EPOLBKMT2ACYP2C9HPGD
SCHEMBL9863061 0.81 KMT2A (0.54) KDM4EKMT2AHPGDHSD17B10TSHR
SCHEMBL22363340 0.81 TSHR (0.51) KMT2AHPGDHSD17B10TSHRMAPK10
SCHEMBL111479 0.80 KMT2A (0.70) KDM4EPOLBKMT2ACYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980374-B1 PHOSPHODIESTERASE 4-INHIBITING DIAZEPINOINDOLONES PFIZER HOLDING FRANCE (FR) 2003-02-12 EP disclosed
US-6239130-B1 ASTHMA, ATOPIC DERMATITIS, RHEUMATOID ARTHRITIS, INFLAMMATORY BOWEL DISORDERS, PULMONARY HYPERTENSION, LIVER INJURY, BONE LOSS, SEPTIC SHOCK, OR MULTIPLE SCLEROSIS, WARNER-LAMBERT COMPANY 2001-05-29 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
EP-0980374-A1 PHOSPHODIESTERASE 4-INHIBITING DIAZEPINOINDOLONES PARKE-DAVIS (FR) 2000-02-23 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
WO-1998049169-A1 PHOSPHODIESTERASE 4-INHIBITING DIAZEPINOINDOLONES PARKE-DAVIS (FR) 1998-11-05 WO disclosed