SCHEMBL9817657

SCHEMBL9817657

CCCCCCc1cc2c(cc1C#Cc1ccc(CC(=O)OCC)cc1)C(C)(C)CCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
FDFT1 P37268 1/20 0.36
RXRA P19793 1/20 0.36
HNF4A P41235 1/20 0.36
RARB P10826 4/20 0.35
RARG P13631 4/20 0.35
MAPT P10636 1/20 0.35
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
RARA P10276 3/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32
AKT1 P31749 1/20 0.31
IRS1 P35568 1/20 0.31
GAB1 Q13480 1/20 0.31
LIPE Q05469 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
PRKCA P17252 3/20 0.31

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
SCHEMBL9817637 0.99 RXRA (0.37) CYP26A1CYP26B1FDFT1RXRAHNF4A
SCHEMBL9817740 0.97 RXRA (0.37) CYP26A1CYP26B1FDFT1RXRAHNF4A
SCHEMBL9817761 0.93 RXRA (0.38) CYP26A1CYP26B1FDFT1RXRAHNF4A
SCHEMBL8662753 0.91 FDFT1 (0.36) FDFT1MAPTPPARGPPARAAKT1
SCHEMBL9817703 0.90 CYP26A1 (0.40) CYP26A1CYP26B1FDFT1RXRAHNF4A
SCHEMBL9817799 0.88 RARB (0.42) CYP26A1CYP26B1RXRAHNF4ARARB
SCHEMBL9817861 0.86 CYP26A1 (0.35) CYP26A1CYP26B1FDFT1RXRAHNF4A
SCHEMBL9817887 0.86 RXRA (0.41) CYP26A1CYP26B1FDFT1RXRAHNF4A
SCHEMBL9817643 0.85 CYP26A1 (0.35) CYP26A1CYP26B1FDFT1RXRAHNF4A
SCHEMBL9817709 0.84 CYP26A1 (0.36) CYP26A1CYP26B1FDFT1RXRAHNF4A

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-0290130-B1 ACETYLENES DISUBSTITUTED WITH A PHENYL GROUP AND A HETEROBICYCLIC GROUP HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC (US) 1991-11-06 EP disclosed
EP-0290130-A1 Acetylenes disubstituted with a phenyl group and a heterobicyclic group having retinoid like activity ALLERGAN, INC (US) 1988-11-09 EP disclosed