SCHEMBL8424636

SCHEMBL8424636

CC1(C)CCC(C)(C)c2cc3c(cc21)OCC3(C)c1ccc(C(=O)O)s1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.48
RXRB P28702 8/20 0.48
RXRG P48443 8/20 0.48
RARB P10826 6/20 0.44
RARG P13631 6/20 0.44
RARA P10276 4/20 0.44
NR4A2 P43354 3/20 0.37

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
SCHEMBL7812840 0.82 RXRA (0.34) RXRARXRBRXRGRARBRARG
SCHEMBL7813388 0.80
SCHEMBL7816655 0.79 RARA (0.35) RXRARXRBRXRGRARBRARG
SCHEMBL7812219 0.78 RXRA (0.43) RXRARXRBRXRGRARBRARG
SCHEMBL7808934 0.76 RXRA (0.58) RXRARXRBRXRGRARBRARG
SCHEMBL7813043 0.74 RARA (0.34) RXRARXRGRARBRARGRARA
SCHEMBL7806225 0.74 RARA (0.34) RXRARXRGRARBRARGRARA
SCHEMBL8423718 0.73 CYP3A4 (0.38) RXRARXRBRXRGRARBRARG
SCHEMBL7812403 0.72 RXRA (0.35) RXRARXRBRXRGRARBRARG
SCHEMBL7810811 0.71 CYP26A1 (0.43) RXRARXRBRXRGRARBRARG

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
US-5905088-A SKIN DISORDERS, RHEUMATIC DISEASES, RESPIRATORY SYSTEM OR CARDIOVASCULAR DISORDERS AND OPTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-05-18 US claimed
US-5905088-A SKIN DISORDERS, RHEUMATIC DISEASES, RESPIRATORY SYSTEM OR CARDIOVASCULAR DISORDERS AND OPTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-05-18 US disclosed