SCHEMBL9195653

SCHEMBL9195653

C=C(Cc1ccc(OC)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 10/20 0.48
CYP26B1 Q9NR63 6/20 0.48
RARB P10826 4/20 0.47
RARG P13631 4/20 0.47
RARA P10276 3/20 0.47
RXRA P19793 6/20 0.47
RXRB P28702 5/20 0.47
RXRG P48443 5/20 0.47
CYP3A4 P08684 5/20 0.46
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7243713 0.84 RXRA (0.68) CYP26A1CYP26B1RARBRARGRARA
SCHEMBL10645869 0.83 CYP26A1 (0.47) CYP26A1CYP26B1RARBRARGRARA
SCHEMBL10580178 0.78 CYP26A1 (0.47) CYP26A1CYP26B1RARBRARGRARA
SCHEMBL7799795 0.76 RARB (0.56) CYP26A1CYP26B1RARBRARGRARA
SCHEMBL12646783 0.75 RARG (0.55) CYP26A1CYP26B1RARBRARGRARA
SCHEMBL12517137 0.75 RARB (0.55) CYP26A1CYP26B1RARBRARGRARA
SCHEMBL7799775 0.75 RXRA (0.55) CYP26A1CYP26B1RARBRARGRARA
SCHEMBL28543477 0.75 PLAU (0.55) KDM4ESMN1; SMN2
SCHEMBL6943030 0.74 RXRA (0.54) CYP26A1CYP26B1RARBRARGRARA
SCHEMBL2895364 0.74 RARG (0.63) CYP26A1RARBRARGRARARXRA

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-0682516-A1 THERAPEUTIC USE OF COMPOUNDS HAVING SELECTIVE AGONIST-LIKE ACTIVITY ON RXR RETINOID RECEPTORS ALLERGAN, INC. (US) 1995-11-22 EP disclosed
WO-1994017796-A1 THERAPEUTIC USE OF COMPOUNDS HAVING SELECTIVE AGONIST-LIKE ACTIVITY ON RXR RETINOID RECEPTORS ALLERGAN, INC. (US) 1994-08-18 WO disclosed