SCHEMBL5592971

SCHEMBL5592971

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
NR1H4 Q96RI1 5/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
DHODH Q02127 1/20 0.38
MAPT P10636 1/20 0.38
RAF1 P04049 2/20 0.37
BRAF P15056 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5593328 0.93 RXFP1 (0.43) RXFP1NR1H4KDM4EALDH1A1TSHR
SCHEMBL4407836 0.90 NR1H4 (0.45) RXFP1NR1H4KDM4EALDH1A1HTT
SCHEMBL5592986 0.90 RXFP1 (0.41) RXFP1NR1H4KDM4EALDH1A1TSHR
SCHEMBL4414236 0.90 NAMPT (0.43) RXFP1NR1H4KDM4EALDH1A1TSHR
SCHEMBL5616375 0.87 MAPT (0.48) KDM4EALDH1A1TSHRHTTMAPT
SCHEMBL4551631 0.87 GRM4 (0.49) RXFP1NR1H4KDM4EALDH1A1PPARG
SCHEMBL4417707 0.86 CYP3A4 (0.43) KDM4EALDH1A1TSHRHTTMAPT
SCHEMBL4551944 0.83 NR1H4 (0.46) RXFP1NR1H4TSHRHTTPPARG
SCHEMBL4411700 0.82 MEN1 (0.43) RXFP1NR1H4KDM4EALDH1A1TSHR
SCHEMBL5593330 0.80 RXFP1 (0.43) RXFP1NR1H4TSHRHTTPPARG

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