SCHEMBL8092972

SCHEMBL8092972

C=CCOC(=O)c1ccc(NC(=O)C(=NOCCCCCCCCCCCC)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.44
HNF4A P41235 1/20 0.44
RXRB P28702 3/20 0.41
RXRG P48443 3/20 0.41
CYP26A1 O43174 6/20 0.41
CYP3A4 P08684 5/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
RARA P10276 3/20 0.41
TSHR P16473 2/20 0.41
RARB P10826 2/20 0.41
RARG P13631 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP26B1 Q9NR63 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 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
SCHEMBL8100583 1.00 RXRA (0.44) RXRAHNF4ARXRBRXRGCYP26A1
SCHEMBL8102331 1.00 RXRA (0.44) RXRAHNF4ARXRBRXRGCYP26A1
SCHEMBL8102329 1.00 RXRA (0.44) RXRAHNF4ARXRBRXRGCYP26A1
SCHEMBL8093088 1.00 RXRA (0.44) RXRAHNF4ARXRBRXRGCYP26A1
SCHEMBL8100584 1.00 RXRA (0.44) RXRAHNF4ARXRBRXRGCYP26A1
SCHEMBL8092971 1.00 RXRA (0.44) RXRAHNF4ARXRBRXRGCYP26A1
SCHEMBL8093086 1.00 RXRA (0.44) RXRAHNF4ARXRBRXRGCYP26A1
SCHEMBL7883334 0.93 RARA (0.41) RXRAHNF4ARXRBRXRGCYP26A1
SCHEMBL8092877 0.93 CYP26A1 (0.44) RXRARXRBRXRGCYP26A1CYP3A4
SCHEMBL8092876 0.93 CYP26A1 (0.44) RXRARXRBRXRGCYP26A1CYP3A4

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