SCHEMBL6594432

SCHEMBL6594432

COc1ccc2c(cc(C(=O)O)n2Cc2ccc(Cl)c(Cl)c2)c1OCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 17/20 0.68
ABCB11 O95342 4/20 0.56

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
SCHEMBL6595648 0.92 CCR2 (0.66) CCR2ABCB11
SCHEMBL6591954 0.84 CCR2 (0.55) CCR2ABCB11
SCHEMBL6595314 0.83 CCR2 (0.54) CCR2ABCB11
SCHEMBL6596120 0.82 CCR2 (0.58) CCR2ABCB11
SCHEMBL6308101 0.81 CCR2 (1.00) CCR2ABCB11
SCHEMBL6600137 0.78 CCR2 (0.57) CCR2ABCB11
SCHEMBL6303492 0.77 CCR2 (0.74) CCR2ABCB11
SCHEMBL6596985 0.76 ABCB11 (0.78) CCR2ABCB11
SCHEMBL6594667 0.75 CCR2 (0.61) CCR2ABCB11
SCHEMBL6595640 0.74 CCR2 (0.48) CCR2ABCB11

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-1150954-B1 ANTI-IMFLAMMATORY INDOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-10-13 EP disclosed
US-6569888-B1 Such as ethyl-N-(dichlorobenzyl)-4-(3-hydroxypropylthio) indole-2-carboxylate; for treatment of arthritis ASTRAZENECA AB (SE) 2003-05-27 US disclosed
EP-1150954-A1 ANTI-IMFLAMMATORY INDOLE DERIVATIVES AstraZeneca AB (SE) 2001-11-07 EP disclosed
WO-2000046198-A1 ANTI-INFLAMMATORY INDOLE DERIVATIVES ASTRAZENECA AB (SE) 2000-08-10 WO disclosed