SCHEMBL7816655

SCHEMBL7816655

CC1(C)CCC(C)(C)c2cc3c(cc21)OCC3(C)c1c[c]c(C(=O)O)s1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.35
RARB P10826 4/20 0.35
RARG P13631 4/20 0.35
RXRA P19793 17/20 0.35
RXRG P48443 5/20 0.34
RXRB P28702 4/20 0.34
CYP26A1 O43174 1/20 0.34
CYP26B1 Q9NR63 1/20 0.34
NR4A2 P43354 3/20 0.34
ABCB1 P08183 1/20 0.32
ABCC1 P33527 1/20 0.32

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
SCHEMBL8423619 0.82
SCHEMBL7812219 0.76 RXRA (0.43) RARARARBRARGRXRARXRG
SCHEMBL7812974 0.73
SCHEMBL7808934 0.72 RXRA (0.58) RARARARBRARGRXRARXRG
SCHEMBL7812403 0.70 RXRA (0.35) RARARARBRARGRXRARXRG
SCHEMBL7813388 0.70
SCHEMBL7806225 0.70 RARA (0.34) RARARARBRARGRXRARXRG
SCHEMBL7810811 0.70 CYP26A1 (0.43) RARARARBRARGRXRARXRG
SCHEMBL7813043 0.70 RARA (0.34) RARARARBRARGRXRARXRG
SCHEMBL7812405 0.70 CYP26A1 (0.43) RARARARBRARGRXRARXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816352-B1 Bi-aryl heterocyclic compounds and their use in human or veterinary medicine and in cosmetics CT INTERNAT DE (FR) 2001-02-21 EP claimed
EP-0816352-A1 Bi-aryl heterocyclic compounds and their use in human or veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-01-07 EP claimed
EP-0816352-B1 Bi-aryl heterocyclic compounds and their use in human or veterinary medicine and in cosmetics CT INTERNAT DE (FR) 2001-02-21 EP disclosed
EP-0816352-A1 Bi-aryl heterocyclic compounds and their use in human or veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-01-07 EP disclosed