SCHEMBL24259973

SCHEMBL24259973

Cc1ccc(C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.77
RARB P10826 11/20 0.77
RARG P13631 10/20 0.77
RXRB P28702 9/20 0.77
RXRG P48443 7/20 0.77
RARA P10276 8/20 0.66
CYP26A1 O43174 4/20 0.66
CYP26B1 Q9NR63 1/20 0.66
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
CRABP2 P29373 1/20 0.50

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
SCHEMBL8733241 0.91 RARB (0.83) RXRARARBRARGRXRBRXRG
SCHEMBL10355871 0.87 RXRA (1.00) RXRARARBRARGRXRBRXRG
SCHEMBL2194599 0.87 RARB (0.82) RXRARARBRARGRXRBRXRG
SCHEMBL16523407 0.85 RARB (0.74) RXRARARBRARGRXRBRXRG
SCHEMBL10356129 0.83 CYP26A1 (0.71) RXRARARBRARGRXRBRXRG
SCHEMBL7422927 0.83 RXRA (0.70) RXRARARBRARGRXRBRXRG
SCHEMBL5540253 0.82 RXRA (0.80) RXRARARBRARGRXRBRXRG
SCHEMBL9822386 0.81 RXRA (0.68) RXRARARBRARGRXRBRXRG
SCHEMBL24259975 0.80 CYP26A1 (0.76) RXRARARBRARGRXRBRXRG
SCHEMBL24259929 0.80 RXRA (0.67) RXRARARBRARGRXRBRXRG

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