SCHEMBL24259972

SCHEMBL24259972

CC1(C)CCC(C)(C)c2cc(Sc3ccc(CCC(=O)O)cc3)ccc21

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 7/20 0.76
CYP26B1 Q9NR63 8/20 0.70
RXRA P19793 6/20 0.65
RXRB P28702 4/20 0.65
RXRG P48443 4/20 0.65
RARB P10826 2/20 0.65
RARG P13631 2/20 0.65
CYP3A4 P08684 1/20 0.61
PPARG P37231 1/20 0.45
FFAR1 O14842 1/20 0.44
KEAP1 Q14145 1/20 0.42
RARA P10276 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
SCHEMBL17911573 0.86 CYP26A1 (1.00) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL14286039 0.85 CYP26B1 (0.70) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL29605538 0.84 CYP26B1 (0.83) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL21776768 0.84 CYP26B1 (0.83) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL17911561 0.84 CYP26A1 (0.61) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL17911592 0.82 CYP26B1 (0.75) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL29567272 0.82 CYP26B1 (1.00) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL17911586 0.82 CYP26B1 (1.00) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL24259952 0.82 CYP26A1 (0.64) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL16516895 0.80 CYP26B1 (0.71) CYP26A1CYP26B1RXRARXRBRXRG

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