SCHEMBL7770210

SCHEMBL7770210

CCCCCC=C(COc1cc(C(=O)O)ccc1I)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 4/20 0.47
CYP26B1 Q9NR63 3/20 0.47
CYP3A4 P08684 2/20 0.47
RXRA P19793 13/20 0.44
HNF4A P41235 3/20 0.44
RXRB P28702 5/20 0.43
RARB P10826 4/20 0.43
RARG P13631 4/20 0.43
RXRG P48443 3/20 0.43
RARA P10276 3/20 0.43
PLA2G4B P0C869 1/20 0.41
PPARG P37231 1/20 0.41
NR1H3 Q13133 1/20 0.41

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
SCHEMBL7770208 1.00 CYP26A1 (0.47) CYP26A1CYP26B1CYP3A4RXRAHNF4A
SCHEMBL6736673 0.91 CYP3A4 (0.48) CYP26A1CYP26B1CYP3A4RXRAHNF4A
SCHEMBL6736672 0.91 CYP3A4 (0.48) CYP26A1CYP26B1CYP3A4RXRAHNF4A
SCHEMBL7769471 0.83 CYP26A1 (0.50) CYP26A1CYP26B1CYP3A4RXRARXRB
SCHEMBL7769473 0.83 CYP26A1 (0.50) CYP26A1CYP26B1CYP3A4RXRARXRB
SCHEMBL7794236 0.81 CYP26A1 (0.70) CYP26A1CYP26B1CYP3A4RXRAHNF4A
SCHEMBL7803974 0.79 CYP26A1 (0.55) CYP26A1CYP26B1CYP3A4RXRAHNF4A
SCHEMBL8773679 0.76 RARB (0.53) CYP26A1CYP26B1CYP3A4RXRAHNF4A
SCHEMBL8773722 0.76 RARB (0.53) CYP26A1CYP26B1CYP3A4RXRAHNF4A
SCHEMBL8773686 0.76 RARB (0.53) CYP26A1CYP26B1CYP3A4RXRAHNF4A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823903-B1 HETEROCYCLIC DIARYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME, AND USES THEREOF CT INTERNAT DE RECH S (FR) 2001-07-18 EP disclosed
EP-0823903-A1 HETEROCYCLIC DIARYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME, AND USES THEREOF CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1998-02-18 EP disclosed
WO-1997029100-A1 HETEROCYCLIC DIARYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME, AND USES THEREOF CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-08-14 WO disclosed