SCHEMBL3935802

SCHEMBL3935802

CCC(Cc1ccc(O)cc1)(NC(=O)CCCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.55
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
HDAC1 Q13547 2/20 0.48
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CTSB P07858 1/20 0.45
HPGD P15428 1/20 0.44
DPP4 P27487 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL3935809 1.00 TRPV1 (0.55) TRPV1OPRM1OPRD1OPRK1HDAC1
SCHEMBL3929925 0.93 CTSB (0.52) TRPV1HDAC1HDAC3HDAC2HDAC8
SCHEMBL3929927 0.93 CTSB (0.52) TRPV1HDAC1HDAC3HDAC2HDAC8
SCHEMBL5580167 0.85 FNTA (0.47) TRPV1SMN1; SMN2HPGDALDH1A1
SCHEMBL5580168 0.85 FNTA (0.47) TRPV1SMN1; SMN2HPGDALDH1A1
SCHEMBL28356497 0.80 RAB9A (0.51) PLAAT3PLAAT5PLAAT2PLAAT4CTSB
SCHEMBL3924275 0.79 LMNA (0.45) OPRM1OPRK1HPGD
SCHEMBL3924272 0.79 LMNA (0.45) OPRM1OPRK1HPGD
SCHEMBL3927053 0.78 BLM (0.44) HDAC1HDAC3HDAC2HDAC6SMN1; SMN2
SCHEMBL3927057 0.78 BLM (0.44) HDAC1HDAC3HDAC2HDAC6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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