SCHEMBL8092920

SCHEMBL8092920

CCCn1cc(N(C(=O)CN)c2ccc3c(c2)C(C)(C)CCC3(C)C)c(C)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.43
RXRB P28702 18/20 0.43
RXRG P48443 17/20 0.43
RARB P10826 2/20 0.35
RARG P13631 2/20 0.35
CYP26B1 Q9NR63 1/20 0.35

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
SCHEMBL8106425 0.76 RXRA (0.39) RXRARXRBRXRGRARBRARG
SCHEMBL8556010 0.75 RXRA (0.49) RXRARXRBRXRGRARBRARG
SCHEMBL8093051 0.74 RXRA (0.64) RXRARXRBRXRGRARBRARG
SCHEMBL8103047 0.74 RXRA (0.47) RXRARXRBRXRGRARBRARG
SCHEMBL8102605 0.72 RXRA (0.53) RXRARXRBRXRGRARBRARG
SCHEMBL8102921 0.70 RXRA (0.51) RXRARXRBRXRGRARBRARG
SCHEMBL8102297 0.69 CYP3A4 (0.40) RXRARXRBRXRGCYP26B1
SCHEMBL8100977 0.67 CYP3A4 (0.40) RXRARXRBRXRGCYP26B1
SCHEMBL8558866 0.66 RXRA (0.48) RXRARXRBRXRGRARBRARG
SCHEMBL8555660 0.65 RXRA (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6051243-A USEFUL IN THE TOPICAL AND SYSTEMIC TREATMENT OF DERMATOLOGICAL CONDITIONS ASSOCIATED WITH A KERATINIZATION DISORDER, DERMATOLOGICAL CONDITIONS (AND THE LIKE) INCLUDING AN INFLAMMATORY AND/OR IMMUNOALLERGIC COMPONENT CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-04-18 US disclosed