SCHEMBL8106548

SCHEMBL8106548

C=CCOC(=O)c1ccc(C(=O)OCC(N)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.47
CYP26A1 O43174 3/20 0.47
CYP26B1 Q9NR63 1/20 0.47
RXRA P19793 7/20 0.45
RXRB P28702 6/20 0.45
RARA P10276 8/20 0.42
RARB P10826 8/20 0.42
RARG P13631 8/20 0.42
RXRG P48443 5/20 0.41
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 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
SCHEMBL8748673 0.87 CYP26A1 (0.61) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8839101 0.84 RXRA (0.48) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8839222 0.81 RXRA (0.50) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8839100 0.81 RXRA (0.45) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8100589 0.80 RARB (0.44) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8102647 0.80 CYP3A4 (0.41) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8839136 0.80 RARB (0.52) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8102732 0.80 RXRA (0.42) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8108641 0.80 CYP3A4 (0.45) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8093126 0.79 CYP26A1 (0.42) 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