SCHEMBL27867731

SCHEMBL27867731

CC(C)c1ccc(C=CCS(=O)(=O)n2c(Cc3cccc(C(=O)O)c3)cc3cc(Cl)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.43
▸ ACLY P53396 1/20 0.40
▸ MRGPRX4 Q96LA9 3/20 0.39
▸ PPARG P37231 8/20 0.36
▸ PPARA Q07869 6/20 0.36
▸ PPARD Q03181 4/20 0.36
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA2 P54646 1/20 0.36
▸ PRKAB1 Q9Y478 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36
▸ AR P10275 1/20 0.35
▸ PHGDH O43175 1/20 0.35

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
SCHEMBL28797215 0.91 DHCR7 (0.41) ACLYPPARGPPARAPPARDENPP2
SCHEMBL28946031 0.86 ACLY (0.35) ACLYPPARGPPARAPPARDPHGDH
SCHEMBL27884203 0.86 PPARG (0.34) CCR2ACLYPPARGPPARAPPARD
SCHEMBL27884471 0.86 ACLY (0.37) CCR2ACLYPPARGPPARAPPARD
SCHEMBL28800056 0.85 ACLY (0.41) CCR2ACLYMRGPRX4PPARGPPARA
SCHEMBL12096711 0.83 PPARG (0.52) CCR2ACLYMRGPRX4PPARGPPARA
SCHEMBL27884364 0.82 DHCR7 (0.42) CCR2ACLYPPARGPPARAPPARD
SCHEMBL27713455 0.82 PPARG (0.54) ACLYPPARGPPARAPPARD
SCHEMBL27867732 0.81 CCR2 (0.45) CCR2ACLYMRGPRX4PPARGPPARA
SCHEMBL27884355 0.80 PPARG (0.44) 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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