SCHEMBL27608802

SCHEMBL27608802

ON=C(C(Cc1ccccc1)c1ccc(F)cc1)C(Cc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
CNR2 P34972 1/20 0.42
CYP19A1 P11511 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PTPN1 P18031 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
HTT P42858 1/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
P4HTM Q9NXG6 1/20 0.37

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
SCHEMBL27628157 0.83 EPHX1 (0.45) EPHX1CNR2BACE1BACE2P4HTM
SCHEMBL27486343 0.81 PPARG (0.41) EPHX1PPARGPPARACNR2CYP19A1
SCHEMBL27991442 0.81 EPHX1 (0.58) EPHX1PPARGPPARACNR2KDM4E
SCHEMBL28752987 0.80 ALDH1A1 (0.51) EPHX1PPARGPPARACNR2ALDH1A1
SCHEMBL27757352 0.78 LMNA (0.51) PPARGPPARASLC6A3HTT
SCHEMBL28151669 0.77 EPHX1 (0.77) EPHX1PPARGPPARACNR2KDM4E
SCHEMBL10636338 0.74 KDM4E (0.55) PPARGPPARACNR2CYP19A1KDM4E
SCHEMBL4664796 0.72 PPARA (0.56) EPHX1PPARGPPARAALDH1A1PTPN1
SCHEMBL27608800 0.72 PPARG (0.41) PPARGPPARACNR2CYP19A1KDM4E
SCHEMBL9896517 0.72 PTGS1 (0.57) EPHX1PPARGPPARAALDH1A1PTPN1

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
CN-100357282-C Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP (KR) 2007-12-26 CN disclosed
CN-1705650-A Isothiazole derivatives, process for preparing the same, and pharmaceutical composition comprising the same CJ CORP (KR) 2005-12-07 CN disclosed