SCHEMBL5750477

SCHEMBL5750477

CC(C)Oc1ccc(-c2ccc3c(c2)cc(C(=O)O)n3Cc2cccc(Cl)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.62
ABCB11 O95342 1/20 0.52
PTGES O14684 1/20 0.51
SERPINE1 P05121 1/20 0.48
CCR9 P51686 1/20 0.48
ABCB1 P08183 1/20 0.46

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
SCHEMBL5738720 0.89 NOD2 (0.49) CCR2PTGESABCB1
SCHEMBL4098695 0.83 CCR2 (0.51) CCR2ABCB11PTGESCCR9
SCHEMBL6091132 0.79 PTGES (0.55) CCR2PTGESSERPINE1
SCHEMBL6091214 0.79 PTGES (0.51) CCR2PTGESSERPINE1
SCHEMBL7245116 0.78 CCR2 (0.79) CCR2ABCB11SERPINE1
SCHEMBL2000903 0.78 CCR2 (0.75) CCR2ABCB11CCR9
SCHEMBL4097358 0.77 CCR2 (0.44) CCR2PTGESCCR9
SCHEMBL6093568 0.77 PTGES (0.54) CCR2PTGESSERPINE1
SCHEMBL3967526 0.77 CCR2 (1.00) CCR2ABCB11CCR9
SCHEMBL27658570 0.77 CCR2 (0.82) CCR2ABCB11CCR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646624-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2006-04-19 EP disclosed
WO-2005005415-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-01-20 WO disclosed