SCHEMBL9076004

SCHEMBL9076004

CC(=Cc1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CC(C)(C)O2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 20/20 0.71
RARG P13631 20/20 0.71
RARA P10276 17/20 0.71
RXRA P19793 7/20 0.62
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 1/20 0.62
CYP26A1 O43174 1/20 0.62
GMNN O75496 1/20 0.62
USP2 O75604 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
POLB P06746 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
NFKB1 P19838 1/20 0.62
CYP2C19 P33261 1/20 0.62
THPO P40225 1/20 0.62
MTOR P42345 1/20 0.62

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
SCHEMBL9076001 1.00 RARB (0.71) RARBRARGRARARXRAKDM4E
SCHEMBL9076000 1.00 RARB (0.71) RARBRARGRARARXRAKDM4E
SCHEMBL6259949 0.86 RARB (0.53) RARBRARGRARARXRAKDM4E
SCHEMBL6259958 0.86 RARB (0.53) RARBRARGRARARXRAKDM4E
SCHEMBL7217796 0.85 RARB (0.66) RARBRARGRARARXRAKDM4E
SCHEMBL9078166 0.85 RARB (0.66) RARBRARGRARARXRAKDM4E
SCHEMBL7217799 0.85 RARB (0.66) RARBRARGRARARXRAKDM4E
SCHEMBL5736575 0.85 SSTR5 (0.50) RARBRARGRARARXRACYP26A1
SCHEMBL10548792 0.83 RARB (1.00) RARBRARGRARARXRAKDM4E
SCHEMBL10548808 0.83 RARB (1.00) RARBRARGRARARXRAKDM4E

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
US-5556996-A Oxiranyls disubstituted with a phenyl group and a substituted chromanyl or tetrahydroquinolinyl group having retinoid like activity ALLERGAN (US) 1996-09-17 US disclosed