SCHEMBL5592986

SCHEMBL5592986

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 4/20 0.39
NR1H4 Q96RI1 3/20 0.39
HTT P42858 3/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
DHODH Q02127 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
TP53 P04637 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 0.92 RXFP1 (0.43) RXFP1ALDH1A1NR1H4HTTMAPT
SCHEMBL5592971 0.90 RXFP1 (0.42) RXFP1ALDH1A1NR1H4HTTMAPT
SCHEMBL4407836 0.89 NR1H4 (0.45) RXFP1ALDH1A1NR1H4HTTMAPT
SCHEMBL4414236 0.88 NAMPT (0.43) RXFP1ALDH1A1NR1H4HTTTSHR
SCHEMBL5616375 0.86 MAPT (0.48) ALDH1A1HTTMAPTTSHRSMN1; SMN2
SCHEMBL4551631 0.85 GRM4 (0.49) RXFP1ALDH1A1NR1H4PPARGPPARA
SCHEMBL4417707 0.85 CYP3A4 (0.43) ALDH1A1HTTMAPTTSHRSMN1; SMN2
SCHEMBL4411700 0.83 MEN1 (0.43) RXFP1ALDH1A1NR1H4HTTMAPT
SCHEMBL4551944 0.81 NR1H4 (0.46) RXFP1NR1H4HTTMAPTTSHR
SCHEMBL5593330 0.78 RXFP1 (0.43) RXFP1NR1H4HTTMAPTTSHR

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