SCHEMBL3674159

SCHEMBL3674159

O=C(O)c1cccc(Cn2ccc3cc(OCc4ccccc4)ccc32)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.62
BCL2 P10415 2/20 0.62
MCL1 Q07820 2/20 0.62
NR1H4 Q96RI1 1/20 0.60
NR4A2 P43354 1/20 0.59
TP53 P04637 1/20 0.54
PKM P14618 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53

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
SCHEMBL1180094 0.89 BCL2 (0.54) MRGPRX4BCL2MCL1NR1H4PPARD
SCHEMBL29941673 0.87 PLAU (0.71)
SCHEMBL3193186 0.85 MAPK14 (0.61) RAB9APPARDPPARA
SCHEMBL6100496 0.82 ALOX5 (0.61) MRGPRX4RAB9APPARDPPARA
SCHEMBL6193094 0.81 PLA2G10 (0.57)
SCHEMBL2275593 0.81 PLAU (0.57) BCL2MCL1NR1H4
SCHEMBL3862821 0.81 PPARD (0.72) PPARDPPARA
SCHEMBL2270794 0.81 MRGPRX4 (0.64) MRGPRX4BCL2MCL1NR1H4NR4A2
SCHEMBL2828419 0.80 FFAR1 (0.63) PPARDPPARA
SCHEMBL6086123 0.80 MAPK14 (0.54) BCL2MCL1RAB9APPARDPPARA

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-2173174-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-14 EP disclosed
WO-2009005998-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-01-08 WO disclosed