SCHEMBL27867732

SCHEMBL27867732

C=CC(c1ccc(C(C)C)cc1)S(=O)(=O)n1c(Cc2cccc(C(=O)O)c2)cc2cc(Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.45
▸ ACLY P53396 2/20 0.41
▸ MRGPRX4 Q96LA9 3/20 0.40
▸ ENPP2 Q13822 1/20 0.39
▸ PPARG P37231 8/20 0.38
▸ PPARA Q07869 6/20 0.38
▸ PPARD Q03181 4/20 0.38
▸ PRKAG1 P54619 1/20 0.37
▸ PRKAA2 P54646 1/20 0.37
▸ PRKAB1 Q9Y478 1/20 0.37
▸ AR P10275 1/20 0.36
▸ PHGDH O43175 1/20 0.36

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
SCHEMBL28797216 0.90 PHGDH (0.41) ACLYPPARGPPARAPPARDPHGDH
SCHEMBL27884472 0.87 PHGDH (0.39) CCR2ACLYPPARGPPARAPPARD
SCHEMBL27884205 0.85 PPARG (0.35) CCR2ACLYPPARGPPARAPPARD
SCHEMBL12096711 0.85 PPARG (0.52) CCR2ACLYMRGPRX4PPARGPPARA
SCHEMBL27884365 0.84 ACLY (0.40) CCR2ACLYPPARGPPARAPPARD
SCHEMBL28800052 0.83 ACLY (0.43) ACLYPPARGPPARAPPARDPHGDH
SCHEMBL27884222 0.83 PPARG (0.37) CCR2ACLYMRGPRX4PPARGPPARA
SCHEMBL28800057 0.83 ACLY (0.43) CCR2ACLYMRGPRX4PPARGPPARA
SCHEMBL27884356 0.83 PPARG (0.43) ACLYPPARGPPARAPPARDPHGDH
SCHEMBL27867759 0.81 ACLY (0.38) CCR2ACLYPPARGPPARAPPARD

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
CN-102596906-A Use of indole derivatives as NURR-1 activators as agents for the treatment of Parkinson's disease FOURNIER LAB SA 2012-07-18 — — CN disclosed
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