SCHEMBL8100960

SCHEMBL8100960

CC(=O)OCC(NC(=O)c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 4/20 0.57
CYP3A4 P08684 4/20 0.57
CYP26B1 Q9NR63 2/20 0.57
RXRA P19793 10/20 0.56
RXRB P28702 7/20 0.56
RARB P10826 12/20 0.52
RARG P13631 12/20 0.52
RARA P10276 10/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PGR P06401 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
TBXA2R P21731 1/20 0.52
BLVRB P30043 1/20 0.52
RXRG P48443 4/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL8108598 0.85 RXRA (0.62) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL8558683 0.85 CYP3A4 (0.45) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL8093126 0.85 CYP26A1 (0.42) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL8106331 0.80 RXRA (0.60) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL8748720 0.79 CYP26A1 (0.53) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL8100967 0.78 RXRA (0.64) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL8102732 0.73 RXRA (0.42) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL8748673 0.73 CYP26A1 (0.61) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL9519749 0.73 RXRA (0.71) CYP26A1CYP3A4CYP26B1RXRARXRB
SCHEMBL8461581 0.73 CYP26A1 (1.00) CYP26A1CYP3A4CYP26B1RXRARXRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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