SCHEMBL5593330

SCHEMBL5593330

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
NR1H4 Q96RI1 6/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
AHR P35869 1/20 0.39
DHODH Q02127 1/20 0.39
MAPT P10636 1/20 0.39
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
SCHEMBL5602261 0.86 HTT (0.43) TSHRHTTPOLBMAPTMEN1
SCHEMBL4551944 0.86 NR1H4 (0.46) RXFP1NR1H4PPARGPPARATSHR
SCHEMBL5593328 0.83 RXFP1 (0.43) RXFP1NR1H4PPARGPPARATSHR
SCHEMBL4411700 0.80 MEN1 (0.43) RXFP1NR1H4PPARGPPARATSHR
SCHEMBL4407836 0.80 NR1H4 (0.45) RXFP1NR1H4PPARGPPARAHTT
SCHEMBL5592971 0.80 RXFP1 (0.42) RXFP1NR1H4PPARGPPARATSHR
SCHEMBL5592986 0.78 RXFP1 (0.41) RXFP1NR1H4PPARGPPARATSHR
SCHEMBL5593295 0.78 NR1H4 (0.47) RXFP1NR1H4PPARGPPARATSHR
SCHEMBL4414236 0.78 NAMPT (0.43) RXFP1NR1H4PPARGPPARATSHR
SCHEMBL4413480 0.77 RAF1 (0.45) RXFP1NR1H4NPC1DHODHMAPT

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