SCHEMBL5593328

SCHEMBL5593328

COc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(CNC(=O)O)on2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
NR1H4 Q96RI1 6/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
DHODH Q02127 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL4407836 0.93 NR1H4 (0.45) RXFP1NR1H4PPARGPPARAHTT
SCHEMBL5592971 0.93 RXFP1 (0.42) RXFP1NR1H4PPARGPPARATSHR
SCHEMBL5592986 0.92 RXFP1 (0.41) RXFP1NR1H4PPARGPPARATSHR
SCHEMBL4414236 0.91 NAMPT (0.43) RXFP1NR1H4PPARGPPARATSHR
SCHEMBL5616375 0.89 MAPT (0.48) TSHRHTTKDM4EALDH1A1MAPT
SCHEMBL4551631 0.88 GRM4 (0.49) RXFP1NR1H4PPARGPPARAKDM4E
SCHEMBL4417707 0.88 CYP3A4 (0.43) TSHRHTTKDM4EALDH1A1MAPT
SCHEMBL5602271 0.86 HTT (0.43) TSHRHTTALDH1A1MAPTBRAF
SCHEMBL4551944 0.86 NR1H4 (0.46) RXFP1NR1H4PPARGPPARATSHR
SCHEMBL4411700 0.84 MEN1 (0.43) RXFP1NR1H4PPARGPPARATSHR

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
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed