SCHEMBL29567307

SCHEMBL29567307

COC(=O)Cc1ccc(Sc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 7/20 0.74
RXRA P19793 4/20 0.60
RXRB P28702 4/20 0.60
RXRG P48443 4/20 0.60
RARB P10826 1/20 0.60
RARG P13631 1/20 0.60
CYP26B1 Q9NR63 7/20 0.46
PPARG P37231 4/20 0.45
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL16516849 1.00 CYP26A1 (0.74) CYP26A1RXRARXRBRXRGRARB
SCHEMBL17911577 0.90 CYP26A1 (0.60) CYP26A1RXRARXRBRXRGRARB
SCHEMBL22838062 0.85 CYP26A1 (0.55) CYP26A1RXRARXRBRXRGRARB
SCHEMBL17911573 0.85 CYP26A1 (1.00) CYP26A1RXRARXRBRXRGRARB
SCHEMBL8102850 0.85 RXRA (0.55) CYP26A1RXRARXRBRXRGRARB
SCHEMBL17911584 0.84 CYP26A1 (0.67) CYP26A1RXRARXRBRXRGRARB
SCHEMBL29567511 0.84 CYP26A1 (0.67) CYP26A1RXRARXRBRXRGRARB
SCHEMBL22838036 0.83 CYP26A1 (0.52) CYP26A1RXRARXRBRXRGRARB
SCHEMBL30174998 0.83 CYP26A1 (0.63) CYP26A1RXRARXRBRXRGRARB
SCHEMBL17911578 0.79 CYP26B1 (0.65) CYP26A1RXRARXRBRXRGCYP26B1

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 3 patents. 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 claimed
EP-4083029-A1 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE University of Washington through its Center for Commercialization (US) 2022-11-02 EP disclosed
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