SCHEMBL8106667

SCHEMBL8106667

C=CCOC(=O)c1ccc(N(C(=O)C=NO)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.38
RXRB P28702 9/20 0.38
RXRG P48443 9/20 0.38
CYP3A4 P08684 5/20 0.34
CYP26A1 O43174 4/20 0.33
RARB P10826 1/20 0.33
CYP26B1 Q9NR63 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL7876781 0.88 RXRA (0.44) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL8102470 0.79 RXRA (0.43) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL8457027 0.75 CYP3A4 (0.39) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL7876780 0.74 RXRA (0.41) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL8839361 0.74 RXRA (0.48) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL8457429 0.73 RARA (0.56) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL8457030 0.73 RXRA (0.41) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL8839144 0.73 RXRA (0.47) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL8839178 0.72 CYP3A4 (0.58) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL8106662 0.72 RARA (0.43) RXRARXRBRXRGCYP3A4CYP26A1

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 1 patent. 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