SCHEMBL8102610

SCHEMBL8102610

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.47
RARB P10826 9/20 0.44
RARA P10276 8/20 0.44
CYP26A1 O43174 6/20 0.44
CYP26B1 Q9NR63 3/20 0.44
RARG P13631 6/20 0.43
RXRA P19793 7/20 0.43
RXRB P28702 7/20 0.43
RXRG P48443 6/20 0.43

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
SCHEMBL7879903 0.86 RXRA (0.44) CYP3A4RARBRARACYP26A1CYP26B1
SCHEMBL7887936 0.83 CYP26A1 (0.52) CYP3A4RARBRARACYP26A1CYP26B1
SCHEMBL8458134 0.81 CYP26A1 (0.65) CYP3A4RARBRARACYP26A1CYP26B1
SCHEMBL8839222 0.81 RXRA (0.50) CYP3A4RARBRARACYP26A1CYP26B1
SCHEMBL5084209 0.80 RXRA (0.66) CYP3A4RARBRARACYP26A1CYP26B1
SCHEMBL9255914 0.79 RXRA (0.48) CYP3A4RARBRARACYP26A1CYP26B1
SCHEMBL7880475 0.79 CYP3A4 (0.40) CYP3A4RARBRARACYP26A1CYP26B1
SCHEMBL8457437 0.78 CYP3A4 (0.43) CYP3A4RARBRARACYP26A1CYP26B1
SCHEMBL8459684 0.78 CYP3A4 (0.43) CYP3A4RARBRARACYP26A1CYP26B1
SCHEMBL8839100 0.78 RXRA (0.45) CYP3A4RARBRARACYP26A1CYP26B1

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