SCHEMBL8103047

SCHEMBL8103047

Cc1ccc(N(C(=O)CN)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.47
RXRB P28702 17/20 0.47
RXRG P48443 16/20 0.47
CYP26B1 Q9NR63 2/20 0.41
CYP26A1 O43174 2/20 0.40
RARB P10826 2/20 0.39
RARG P13631 2/20 0.39

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
SCHEMBL8093051 0.87 RXRA (0.64) RXRARXRBRXRGCYP26A1RARB
SCHEMBL8102921 0.87 RXRA (0.51) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL8102605 0.82 RXRA (0.53) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL8102771 0.79 ALDH1A1 (0.51) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL8556010 0.78 RXRA (0.49) RXRARXRBRXRGCYP26B1RARB
SCHEMBL8102297 0.77 CYP3A4 (0.40) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL5080288 0.75 RXRA (0.65) RXRARXRBRXRGCYP26A1RARB
SCHEMBL8102435 0.75 RXRA (0.61) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL8100718 0.75 CYP3A4 (0.40) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL5084705 0.74 RXRA (0.64) RXRARXRBRXRGCYP26A1RARB

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