SCHEMBL7461983

SCHEMBL7461983

CCOC(=O)c1cc2cc(OCc3ccc(C(F)(F)F)cc3)ccc2n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
PPARG P37231 1/20 0.41
CCR2 P41597 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F10 P00742 2/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
MAOA P21397 1/20 0.39
AR P10275 1/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PIM1 P11309 1/20 0.38
PDGFRA P16234 1/20 0.38
S1PR1 P21453 1/20 0.38

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
SCHEMBL7468828 0.90 EDNRB (0.47) MAOBNOD2NOD1CCR2LMNA
SCHEMBL8385275 0.90 F10 (0.51) MAOBNOD2NOD1MAPTF10
SCHEMBL7458022 0.90 CCR2 (0.52) PPARGCCR2PPARDPPARAAR
SCHEMBL8387936 0.88 MAPT (0.47) MAOBNOD2NOD1CCR2LMNA
SCHEMBL7534493 0.84 F10 (0.41) NOD2NOD1LMNAMAPTHPGD
SCHEMBL7470558 0.83 NOD2 (0.40) NOD2NOD1CCR2LMNAMAPT
SCHEMBL7246776 0.82 EDNRB (0.43) NOD2NOD1CCR2LMNAMAPT
SCHEMBL7247001 0.81 MAPT (0.49) NOD2NOD1CCR2LMNAMAPT
SCHEMBL7462084 0.81 S1PR1 (0.54) PPARGCCR2PPARDPPARAPIM1
SCHEMBL7455739 0.80 CCR2 (0.57) CCR2EDNRBEDNRAABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021181-A4 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORP (US) 2002-06-26 EP disclosed
EP-1021181-A1 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORPORATION (US) 2000-07-26 EP disclosed
US-5955492-A Carboxylic acid indole inhibitors of chemokines SMITHKLINE BEECHAM CORPORATION (US) 1999-09-21 US disclosed
WO-1997035572-A1 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORPORATION (US) 1997-10-02 WO disclosed