SCHEMBL7714824

SCHEMBL7714824

C#CCC(O)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 5/20 0.51
CYP3A4 P08684 3/20 0.51
CYP26B1 Q9NR63 2/20 0.51
RXRA P19793 9/20 0.49
RXRB P28702 8/20 0.46
RARB P10826 10/20 0.45
RARG P13631 10/20 0.45
RARA P10276 7/20 0.45
RXRG P48443 6/20 0.38
CRABP2 P29373 1/20 0.38
PPARG P37231 1/20 0.36

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
SCHEMBL9097434 0.81 CYP26A1 (0.56) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL6157965 0.80 RXRA (0.52) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL6157083 0.80 RXRA (0.52) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL3541162 0.75 RXRA (0.58) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL9586965 0.74 CYP26A1 (0.58) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL19896651 0.72 TAAR1 (0.39)
SCHEMBL3175854 0.71 RXRA (0.57) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL9350200 0.70 RXRA (0.64) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL7871498 0.70 RXRA (0.64) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL8681351 0.70 RXRA (0.56) CYP26A1CYP3A4CYP26B1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6368608-B1 SKIN DISORDERS CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) (FR) 2002-04-09 US disclosed