SCHEMBL8727414

SCHEMBL8727414

C=C[C@H]1CC[C@H](c2ccc(-c3ccc(-c4ccc(COCCC)cc4)cc3F)c(F)c2)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
FASN P49327 1/20 0.30
NAAA Q02083 1/20 0.30

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
SCHEMBL8732323 0.95 FASN (0.34) GABRA1GABRB2RARBFASN
SCHEMBL8725259 0.94 CYP3A4 (0.34) GABRA1GABRB2RARARARBFASN
SCHEMBL8725468 0.93 GBA1 (0.34) GABRA1GABRB2FASN
SCHEMBL8727638 0.89 RARB (0.38) GABRA1GABRB2RARBFASN
SCHEMBL8731484 0.89 RARB (0.37) RARARARB
SCHEMBL8727279 0.89 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL8732620 0.88 RARB (0.37) RARARARB
SCHEMBL8726962 0.86 SPHK1 (0.35) GABRA1GABRB2NAAA
SCHEMBL8726965 0.86 SPHK1 (0.35) GABRA1GABRB2NAAA
SCHEMBL8732588 0.86 SPHK1 (0.35) GABRA1GABRB2NAAA

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-0882695-A1 BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1998-12-09 EP disclosed