SCHEMBL4551944

SCHEMBL4551944

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 3/20 0.44
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
DHODH Q02127 1/20 0.42
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL4411700 0.89 MEN1 (0.43) NR1H4PPARGPPARARXFP1MEN1
SCHEMBL5593330 0.86 RXFP1 (0.43) NR1H4PPARGPPARARXFP1MEN1
SCHEMBL5593328 0.86 RXFP1 (0.43) NR1H4PPARGPPARARXFP1MEN1
SCHEMBL4413480 0.85 RAF1 (0.45) NR1H4RXFP1MEN1KMT2AMAPT
SCHEMBL4412543 0.84 ALDH1A1 (0.42) NR1H4RXFP1MEN1KMT2AMAPT
SCHEMBL4415213 0.83 RAF1 (0.45) RXFP1MEN1KMT2AMAPTRAF1
SCHEMBL4409369 0.83 RAB9A (0.51) MEN1KMT2ATSHRRAF1BRAF
SCHEMBL4419761 0.83 CYP1A2 (0.49) MEN1KMT2AMAPTTSHRHTT
SCHEMBL4407836 0.83 NR1H4 (0.45) NR1H4PPARGPPARARXFP1KMT2A
SCHEMBL5592971 0.83 RXFP1 (0.42) NR1H4PPARGPPARARXFP1MEN1

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-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed