SCHEMBL8366687

SCHEMBL8366687

COc1cccc(OC)c1-c1cc(C(=O)O)nn1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 5/20 0.53
▸ MARS1 P56192 4/20 0.47
▸ RPA1 P27694 5/20 0.44
▸ PTGER4 P35408 1/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPP1CA P62136 1/20 0.41
▸ P2RY14 Q15391 1/20 0.41
▸ MALT1 Q9UDY8 1/20 0.41

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
Hydrochloric Acid SCHEMBL8368081 0.99 CCR2 (0.52) CCR2MARS1RPA1PTGER4CYP2C9
SCHEMBL8368076 0.91 CCR2 (0.47) CCR2MARS1PTGER4CYP2C9PPARG
SCHEMBL8366606 0.90 CCR2 (0.47) CCR2PTGER4MALT1
SCHEMBL8366708 0.82 RPA1 (0.65) CCR2MARS1RPA1MALT1
SCHEMBL8046115 0.78 RPA1 (0.63) MARS1RPA1PPP1CAP2RY14MALT1
SCHEMBL8369153 0.77 MARS1 (0.53) MARS1RPA1PPP1CAMALT1
Hydrochloric Acid SCHEMBL8369220 0.77 RPA1 (0.62) MARS1RPA1PPP1CAP2RY14MALT1
SCHEMBL17317412 0.77 APLNR (0.57) —
SCHEMBL3683277 0.76 PPP1CA (0.52) MARS1RPA1PPP1CAMALT1
SCHEMBL8042589 0.76 CNR2 (0.65) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5925768-A ANTIINFLAMMATORY AGENTS; ANALGESICS, ANTICOAGULANTS, NARCOTICS SANOFI (FR) 1999-07-20 — — US disclosed
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