SCHEMBL8093059

SCHEMBL8093059

CC(=O)OCc1ccc(NC(=O)C(N)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 9/20 0.44
CYP26B1 Q9NR63 6/20 0.44
CYP3A4 P08684 4/20 0.41
RARB P10826 4/20 0.41
RARG P13631 4/20 0.41
RARA P10276 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 4/20 0.41
LTA4H P09960 1/20 0.40
RXRA P19793 3/20 0.39
RXRB P28702 2/20 0.39
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL8102765 0.86 KMT2A (0.50) CYP26A1CYP26B1CYP3A4RARBRARG
SCHEMBL8102916 0.82 RARB (0.51) CYP26A1CYP26B1CYP3A4RARBRARG
SCHEMBL8103042 0.82 RARB (0.47) CYP26A1CYP26B1CYP3A4RARBRARG
SCHEMBL8103130 0.82 BACE1 (0.42) CYP26A1CYP26B1CYP3A4ALDH1A1TSHR
SCHEMBL8758241 0.81 RARB (0.46) CYP26A1CYP26B1CYP3A4RARBRARG
SCHEMBL8093046 0.80 RARB (0.64) CYP26A1CYP26B1CYP3A4RARBRARG
SCHEMBL8106316 0.78 CYP26A1 (0.44) CYP26A1CYP26B1CYP3A4RARBRARG
SCHEMBL8556266 0.77 RARG (0.45) CYP26A1CYP26B1CYP3A4RARBRARG
SCHEMBL8106415 0.75 KMT2A (0.48) CYP26A1CYP26B1CYP3A4RARBRARG
SCHEMBL8102601 0.74 RARG (0.49) CYP26A1CYP26B1CYP3A4RARBRARG

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