SCHEMBL9761920

SCHEMBL9761920

CCCCCC[C@H]1CC[C@H](CCc2ccc(C(=O)O)c(F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.56
RARA P10276 2/20 0.56
RARG P13631 1/20 0.56
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.48
KAT8 Q9H7Z6 2/20 0.48
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
S1PR3 Q99500 1/20 0.41
PLK1 P53350 2/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
TBK1 Q9UHD2 1/20 0.39

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
SCHEMBL9763270 1.00 RARB (0.56) RARBRARARARGPPARAPPARG
SCHEMBL9762565 1.00 RARB (0.56) RARBRARARARGPPARAPPARG
SCHEMBL9763119 1.00 RARB (0.56) RARBRARARARGPPARAPPARG
SCHEMBL9762570 1.00 RARB (0.56) RARBRARARARGPPARAPPARG
SCHEMBL9763126 1.00 RARB (0.56) RARBRARARARGPPARAPPARG
SCHEMBL9762543 1.00 RARB (0.56) RARBRARARARGPPARAPPARG
SCHEMBL9761926 1.00 RARB (0.56) RARBRARARARGPPARAPPARG
SCHEMBL9762535 1.00 RARB (0.56) RARBRARARARGPPARAPPARG
SCHEMBL9763268 1.00 RARB (0.56) RARBRARARARGPPARAPPARG
SCHEMBL7903091 0.99 RARB (0.54) RARBRARARARGPPARAPPARG

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-5069814-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1991-12-03 US disclosed