SCHEMBL24259975

SCHEMBL24259975

C/C=C/c1ccc(C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 4/20 0.76
RARB P10826 15/20 0.67
RARG P13631 14/20 0.67
RXRA P19793 9/20 0.67
RXRB P28702 5/20 0.67
RXRG P48443 3/20 0.67
RARA P10276 12/20 0.62
CYP26B1 Q9NR63 2/20 0.58
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
GMNN O75496 1/20 0.54
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
CYP2D6 P10635 1/20 0.54

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
SCHEMBL8461961 0.86 CYP26A1 (1.00) CYP26A1RARBRARGRXRARXRB
SCHEMBL8461960 0.86 CYP26A1 (1.00) CYP26A1RARBRARGRXRARXRB
SCHEMBL10356129 0.85 CYP26A1 (0.71) CYP26A1RARBRARGRXRARXRB
SCHEMBL8733241 0.84 RARB (0.83) CYP26A1RARBRARGRXRARXRB
SCHEMBL17914357 0.83 CYP26A1 (0.75) CYP26A1RARBRARGRXRARXRB
SCHEMBL29567021 0.83 CYP26A1 (0.75) CYP26A1RARBRARGRXRARXRB
SCHEMBL10355871 0.80 RXRA (1.00) CYP26A1RARBRARGRXRARXRB
SCHEMBL2194599 0.80 RARB (0.82) CYP26A1RARBRARGRXRARXRB
SCHEMBL24259973 0.80 RXRA (0.77) CYP26A1RARBRARGRXRARXRB
SCHEMBL10355811 0.80 CYP26A1 (0.70) CYP26A1RARBRARGRXRARXRB

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