SCHEMBL8108641

SCHEMBL8108641

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.45
CYP26A1 O43174 6/20 0.44
CYP26B1 Q9NR63 2/20 0.44
RXRA P19793 3/20 0.42
RXRB P28702 2/20 0.42
RARA P10276 7/20 0.41
RARB P10826 7/20 0.41
RARG P13631 7/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
TBXA2R P21731 1/20 0.41
BLVRB P30043 1/20 0.41
PPARG P37231 3/20 0.41
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 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
SCHEMBL8102732 0.86 RXRA (0.42) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8093126 0.84 CYP26A1 (0.42) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8106331 0.83 RXRA (0.60) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8100801 0.81 RARB (0.44) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8839101 0.81 RXRA (0.48) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8106548 0.80 CYP3A4 (0.47) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8839136 0.78 RARB (0.52) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8458134 0.78 CYP26A1 (0.65) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8839149 0.78 RARB (0.45) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8839100 0.78 RXRA (0.45) CYP3A4CYP26A1CYP26B1RXRARXRB

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
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