SCHEMBL24259981

SCHEMBL24259981

CCc1cccc(Sc2ccc3c(c2)C(C)(C)CCC3(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.57
RXRA P19793 10/20 0.54
RXRB P28702 8/20 0.54
RXRG P48443 8/20 0.54
RARB P10826 5/20 0.54
RARG P13631 4/20 0.54
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
HTR2C P28335 1/20 0.37
HTR6 P50406 1/20 0.37
RARA P10276 2/20 0.37
CYP26B1 Q9NR63 2/20 0.36
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
PPARG P37231 1/20 0.33

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
SCHEMBL7759680 0.82 RXRA (0.69) CYP26A1RXRARXRBRXRGRARB
SCHEMBL29567380 0.82 CYP26A1 (0.81) CYP26A1RXRARXRBRXRGRARB
SCHEMBL17911596 0.82 CYP26A1 (0.81) CYP26A1RXRARXRBRXRGRARB
SCHEMBL1786072 0.80 HTR2C (0.52) DDB1CRBNHTR2CHTR6TP53
SCHEMBL17911577 0.79 CYP26A1 (0.60) CYP26A1RXRARXRBRXRGRARB
SCHEMBL24259952 0.79 CYP26A1 (0.64) CYP26A1RXRARXRBRXRGRARB
SCHEMBL3176733 0.78 RXRA (0.54) CYP26A1RXRARXRBRXRGRARB
SCHEMBL29567408 0.77 CYP26A1 (0.55) CYP26A1RXRARXRBRXRGRARB
SCHEMBL17911601 0.77 CYP26A1 (0.55) CYP26A1RXRARXRBRXRGRARB
SCHEMBL16516305 0.75 RXRA (0.52) 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
EP-3044216-B1 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2022-02-23 EP disclosed