SCHEMBL8102647

SCHEMBL8102647

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.41
CYP26A1 O43174 4/20 0.41
CYP26B1 Q9NR63 1/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
RXRA P19793 4/20 0.39
RXRB P28702 3/20 0.39
RARB P10826 7/20 0.37
RARG P13631 7/20 0.37
RARA P10276 6/20 0.37
RXRG P48443 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SERPINE1 P05121 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
SCHEMBL8748720 0.89 CYP26A1 (0.53) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8093126 0.84 CYP26A1 (0.42) CYP3A4CYP26A1CYP26B1ADRB2ADRB1
SCHEMBL8102732 0.81 RXRA (0.42) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8106548 0.80 CYP3A4 (0.47) CYP3A4CYP26A1CYP26B1ADRB2ADRB1
SCHEMBL8100729 0.78 RXRA (0.43) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8839101 0.77 RXRA (0.48) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8108641 0.77 CYP3A4 (0.45) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8102604 0.76 CA12 (0.35) CYP3A4CYP26A1CYP26B1RARBRARG
SCHEMBL8839136 0.75 RARB (0.52) CYP3A4CYP26A1CYP26B1ADRB2ADRB1
SCHEMBL8560486 0.75 CYP26A1 (0.40) CYP3A4CYP26A1CYP26B1ADRB2ADRB1

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