SCHEMBL8102291

SCHEMBL8102291

COC(=O)c1cc(NC(=O)C(N)c2ccc3c(c2)C(C)(C)CCC3(C)C)cn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.39
RARG P13631 9/20 0.39
RARA P10276 8/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 1/20 0.38
CYP3A4 P08684 7/20 0.38
CYP26A1 O43174 7/20 0.38
CYP26B1 Q9NR63 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
TBXA2R P21731 1/20 0.35
BLVRB P30043 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
SCHEMBL8748945 0.90 RXRA (0.45) RARBRARGRARARXRARXRB
SCHEMBL8106421 0.88 CYP3A4 (0.37) RARBRARGRARARXRARXRB
SCHEMBL8100972 0.83 RARB (0.41) RARBRARGRARARXRARXRB
SCHEMBL8108607 0.82 RARB (0.35) RARBRARGRARARXRARXRB
SCHEMBL8748880 0.79 RXRA (0.41) RARBRARGRARARXRARXRB
SCHEMBL8092917 0.77 RXRA (0.43) RARBRARGRARARXRARXRB
SCHEMBL8103042 0.77 RARB (0.47) RARBRARGRARARXRARXRB
SCHEMBL8758241 0.76 RARB (0.46) RARBRARGRARARXRARXRB
SCHEMBL8100714 0.75 RARB (0.40) RARBRARGRARARXRARXRB
SCHEMBL8102916 0.75 RARB (0.51) RARBRARGRARARXRARXRB

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 4 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 claimed
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 claimed
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
US-5709867-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-20 US disclosed