SCHEMBL14765472

SCHEMBL14765472

COc1ccc(OCc2nc(-c3ccccc3OC)cs2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 6/20 0.56
▸ PPARA Q07869 2/20 0.56
▸ HTR3A P46098 1/20 0.54
▸ CYP19A1 P11511 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ SREBF2 Q12772 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ VCP P55072 1/20 0.44
▸ ATP4A P20648 2/20 0.44
▸ ATP4B P51164 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL14765473 0.93 PPARD (0.56) PPARDPPARAHTR3AL3MBTL1POLB
SCHEMBL13484537 0.89 PPARD (0.74) PPARDPPARA
SCHEMBL14765479 0.87 PPARD (0.72) PPARDPPARAHTR3AL3MBTL1POLB
SCHEMBL14765467 0.82 PPARD (0.56) PPARDPPARAL3MBTL1POLBNPC1
SCHEMBL14765474 0.82 PPARD (0.62) PPARDPPARACYP19A1L3MBTL1POLB
SCHEMBL14765468 0.80 PPARD (0.57) PPARDPPARAL3MBTL1POLBMEN1
SCHEMBL28701419 0.79 PPARD (0.47) PPARDPPARAHTR3ACYP19A1MAPT
SCHEMBL13484533 0.77 PPARD (0.69) PPARDPPARA
SCHEMBL3194256 0.77 PPARD (0.61) PPARDPPARA
SCHEMBL3199595 0.77 PPARD (0.61) PPARDPPARAMAPT

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
US-8394841-B2 Compounds and methods for modulating G protein-coupled receptors IRM LLC (BM) 2013-03-12 — — US disclosed
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