SCHEMBL20122034

SCHEMBL20122034

CCCCCCC1(C)CCC(C)(C)c2ccc(SC(C)(C)CCC)cc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.36
RXRA P19793 3/20 0.36
RXRB P28702 3/20 0.36
RXRG P48443 2/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
CYP26B1 Q9NR63 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL9362670 0.67 RXRA (0.37) CYP26A1RXRARXRBRXRGRARB
SCHEMBL9453742 0.63 CNR1 (0.35) CNR1CNR2CYP1A2
SCHEMBL10936570 0.63 ESR1 (0.50) CNR1CNR2
SCHEMBL11564108 0.62 CNR2 (0.38) CNR1CNR2TP53
SCHEMBL7143302 0.61 CYP26A1 (0.48) CYP26A1RXRARXRBRXRGCYP26B1
SCHEMBL15617210 0.60 RXRA (0.56) CYP26A1RXRARXRBRXRGRARB
SCHEMBL11411390 0.60 SIRT2 (0.37)
SCHEMBL1454296 0.59 GAA (0.36) CNR1CNR2TP53
SCHEMBL6147014 0.58 RXRA (0.46) CYP26A1RXRARXRBRXRGRARB
SCHEMBL20277839 0.58 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