SCHEMBL5580940

SCHEMBL5580940

CC(Cc1ccc(O)cc1)(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.50
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
THPO P40225 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP2C9 P11712 1/20 0.44
ENPEP Q07075 2/20 0.44
ESR1 P03372 2/20 0.44
ESR2 Q92731 1/20 0.44

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
SCHEMBL5580942 1.00 BLM (0.50) BLMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL28919652 0.89 BLM (0.48) BLMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL10530662 0.86 POLB (0.66) BLMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL4328760 0.83 BLM (0.57) BLMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL22033119 0.81 BLM (0.56) BLMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL5580140 0.81 FNTA (0.45) BLMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL5580141 0.81 FNTA (0.45) BLMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL3927053 0.80 BLM (0.44) BLMPOLBSMN1; SMN2CYP2C9ESR1
SCHEMBL3927057 0.80 BLM (0.44) BLMPOLBSMN1; SMN2CYP2C9ESR1
SCHEMBL2402469 0.79 ITGB3 (0.59) BLMSMN1; SMN2ALDH1A1LMNAENPEP

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 8 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
US-20070249915-A1 Inhibitors SHISEIDO COMPANY, LTD. (JP) 2007-10-25 US 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