SCHEMBL20122033

SCHEMBL20122033

CCCC(C)(CC)Sc1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 4/20 0.42
RXRA P19793 15/20 0.42
RXRB P28702 15/20 0.42
RXRG P48443 13/20 0.42
RARB P10826 3/20 0.42
RARG P13631 3/20 0.42
CYP26B1 Q9NR63 2/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
RARA P10276 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
SCHEMBL17916279 0.91 CYP26A1 (0.46) CYP26A1RXRARXRBRXRGRARB
SCHEMBL17916345 0.82 CYP26A1 (0.46) CYP26A1RXRARXRBRXRGRARB
SCHEMBL20122034 0.72 CYP26A1 (0.36) CYP26A1RXRARXRBRXRGRARB
SCHEMBL17914352 0.69 RXRA (0.54) CYP26A1RXRARXRBRXRGRARB
SCHEMBL24259952 0.68 CYP26A1 (0.64) CYP26A1RXRARXRBRXRGRARB
SCHEMBL6147014 0.68 RXRA (0.46) CYP26A1RXRARXRBRXRGRARB
SCHEMBL6147306 0.68 RXRA (0.46) CYP26A1RXRARXRBRXRGRARB
SCHEMBL20277839 0.68 RXRA (0.53) CYP26A1RXRARXRBRXRGRARB
SCHEMBL6528854 0.68 RXRA (0.53) CYP26A1RXRARXRBRXRGRARB
SCHEMBL6146944 0.66 RXRA (0.53) CYP26A1RXRARXRBRXRGRARB

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-9963439-B2 Specific inhibitors of cytochrome P450 26 retinoic acid hydroxylase UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2018-05-08 US disclosed