SCHEMBL20839638

SCHEMBL20839638

O=C(O)CNc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 15/20 0.73
▸ PPARG P37231 8/20 0.73
▸ PPARD Q03181 8/20 0.73
▸ PPARA Q07869 6/20 0.73
▸ RXFP1 Q9HBX9 2/20 0.65
▸ MEN1 O00255 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ DHODH Q02127 1/20 0.50

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
SCHEMBL20839941 0.85 NR1H4 (0.70) NR1H4PPARGPPARDPPARARXFP1
SCHEMBL20839783 0.83 NR1H4 (0.80) NR1H4PPARGPPARDPPARARXFP1
SCHEMBL24133347 0.82 NR1H4 (0.74) NR1H4PPARGPPARDPPARARXFP1
SCHEMBL20839685 0.81 RXFP1 (0.66) NR1H4PPARGPPARDPPARARXFP1
SCHEMBL15528949 0.79 RXFP1 (1.00) RXFP1
SCHEMBL15599961 0.78 MEN1 (0.78) MEN1NPC1RAB9AKMT2A
SCHEMBL8044197 0.76 DHODH (0.79) NR1H4PPARGPPARDPPARAMEN1
SCHEMBL20839497 0.76 RXFP1 (0.59) NR1H4PPARGPPARDPPARARXFP1
SCHEMBL20839624 0.75 NR1H4 (0.78) NR1H4PPARGPPARDPPARARXFP1
SCHEMBL2467402 0.75 PLAU (0.78) NR1H4MEN1NPC1RAB9AKMT2A

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
WO-2019057969-A1 DUAL AGONISTS OF FXR AND PPARδ AND THEIR USES Johann Wolfgang Goethe-Universität (DE) 2019-03-28 — — WO disclosed
WO-2019057969-A1 DUAL AGONISTS OF FXR AND PPARδ AND THEIR USES Johann Wolfgang Goethe-Universität (DE) 2019-03-28 — — WO disclosed
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