SCHEMBL4614501

SCHEMBL4614501

[CH]=Cc1cc(OCCCC)nn1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.52
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3206833 0.89 PPARG (0.54) PPARGPOLBNPC1KDM4EALDH1A1
SCHEMBL4614505 0.89 PPARG (0.52) PPARGPOLBNPC1KDM4EALDH1A1
SCHEMBL3204500 0.83 PPARG (0.58) PPARGNPC1
SCHEMBL3208057 0.83 PPARG (0.58) PPARGNPC1
SCHEMBL3211081 0.82 PPARG (0.53) PPARG
SCHEMBL3211063 0.82 PPARG (0.53) PPARG
SCHEMBL4531217 0.81 PPARG (0.54) PPARGNPC1
SCHEMBL4531220 0.81 PPARG (0.54) PPARGNPC1
SCHEMBL3212888 0.81 PPARG (0.55) PPARGALDH1A1
SCHEMBL3212894 0.81 PPARG (0.55) PPARGALDH1A1

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-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed