SCHEMBL7468828

SCHEMBL7468828

CCOC(=O)c1cc2cc(OCc3ccc(OC)cc3)ccc2n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.47
EDNRA P25101 2/20 0.47
PTGS2 P35354 2/20 0.46
CCR2 P41597 2/20 0.45
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
F10 P00742 2/20 0.42
MAOB P27338 1/20 0.42
ABCB11 O95342 1/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL8385275 0.92 F10 (0.51) EDNRBEDNRANOD2NOD1MAPT
SCHEMBL8387936 0.90 MAPT (0.47) EDNRBEDNRACCR2NOD2NOD1
SCHEMBL7461983 0.90 MAOB (0.46) EDNRBEDNRACCR2NOD2NOD1
SCHEMBL7455739 0.90 CCR2 (0.57) EDNRBEDNRAPTGS2CCR2ABCB11
SCHEMBL7534493 0.86 F10 (0.41) EDNRBEDNRANOD2NOD1SMN1; SMN2
SCHEMBL7246776 0.85 EDNRB (0.43) EDNRBEDNRACCR2NOD2NOD1
SCHEMBL7247001 0.84 MAPT (0.49) CCR2NOD2NOD1SMN1; SMN2LMNA
SCHEMBL7525789 0.82 ABCB11 (0.49) EDNRBEDNRACCR2ABCB11
SCHEMBL7466282 0.82 CCR2 (0.58) EDNRBEDNRACCR2F10MAOB
SCHEMBL8555129 0.82 EDNRA (0.49) EDNRBEDNRA

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