SCHEMBL8093042

SCHEMBL8093042

CC(C)(C)OC(=O)NC(C(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.45
CYP26A1 O43174 8/20 0.38
CYP26B1 Q9NR63 3/20 0.38
CYP3A4 P08684 3/20 0.38
RARB P10826 3/20 0.38
RARG P13631 3/20 0.38
MMP8 P22894 2/20 0.38
MEN1 O00255 2/20 0.38
RARA P10276 2/20 0.38
KMT2A Q03164 2/20 0.38
MMP3 P08254 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
RXRA P19793 2/20 0.36
RXRB P28702 1/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL8106743 0.88 MEN1 (0.42) CYP26A1CYP26B1CYP3A4RARBRARG
SCHEMBL8757257 0.87 RARB (0.40) CYP26A1CYP26B1CYP3A4RARBRARG
SCHEMBL8100983 0.86 RARB (0.44) CYP26A1CYP26B1CYP3A4RARBRARG
SCHEMBL8748829 0.86 RARB (0.55) CYP26A1CYP26B1CYP3A4RARBRARG
SCHEMBL8102431 0.85 RARB (0.43) CYP26A1CYP26B1CYP3A4RARBRARG
SCHEMBL8103130 0.82 BACE1 (0.42) CYP26A1CYP26B1CYP3A4ALDH1A1TSHR
SCHEMBL8093109 0.81 RARG (0.43) CYP26A1CYP26B1CYP3A4RARBRARG
SCHEMBL8604289 0.80 CYP26A1 (0.53) RORCCYP26A1CYP26B1CYP3A4RARB
SCHEMBL8106316 0.79 CYP26A1 (0.44) RORCCYP26A1CYP26B1CYP3A4RARB
SCHEMBL8100687 0.79 CYP3A4 (0.47) CYP3A4KMT2AALDH1A1TSHR

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 3 patents. 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
EP-0661260-B1 New bi-aromatic compounds derived from amides pharmaceutical compositions and cosmetic compositions containing them and their use CIRD GALDERMA (FR) 1997-03-12 EP disclosed
EP-0661260-A1 New bi-aromatic compounds derived from amides pharmaceutical compositions and cosmetic compositions containing them and their use CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1995-07-05 EP disclosed