SCHEMBL24259977

SCHEMBL24259977

CCCc1ccc(Cc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP26B1 Q9NR63 6/20 0.67
CYP26A1 O43174 6/20 0.67
RXRA P19793 8/20 0.61
RXRB P28702 2/20 0.61
RXRG P48443 2/20 0.61
RARA P10276 2/20 0.46
CYP3A4 P08684 1/20 0.42
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
PPARG P37231 1/20 0.38
HTR1D P28221 1/20 0.37

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
SCHEMBL2897524 0.90 CYP26B1 (0.53) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL17911586 0.80 CYP26B1 (1.00) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL24259952 0.80 CYP26A1 (0.64) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL6909472 0.79 CYP26B1 (0.50) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL3176733 0.78 RXRA (0.54) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL7142134 0.78 CYP26B1 (0.49) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL24259929 0.77 RXRA (0.67) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL17911593 0.77 CYP26B1 (0.74) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL7143302 0.77 CYP26A1 (0.48) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL24259953 0.76 CYP26B1 (0.71) CYP26B1CYP26A1RXRARXRBRXRG

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