SCHEMBL19985378

SCHEMBL19985378

C/C=C/C1CCC(c2ccc(-c3ccc(OCCCCC)c(F)c3F)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 5/20 0.32
FPR2 P25090 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
RAB9A P51151 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
CNR2 P34972 2/20 0.30
CNR1 P21554 1/20 0.30
PTPN11 Q06124 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
SCHEMBL19985373 0.99 SPHK1 (0.34) SPHK1FPR2PTPN11
SCHEMBL19985379 0.99 SPHK1 (0.34) SPHK1FPR2PTPN11
SCHEMBL19985375 0.99 SPHK1 (0.34) SPHK1FPR2PTPN11
SCHEMBL19985374 0.99 SPHK1 (0.34) SPHK1FPR2PTPN11
SCHEMBL19985370 0.97 RAB9A (0.33) SPHK1FPR2RAB9AFFAR4CNR2
SCHEMBL19985369 0.94 FPR2 (0.34) FPR2GABRA1GABRB2
SCHEMBL8933435 0.93 FPR2 (0.33) FPR2GABRA1GABRB2CNR2CNR1
SCHEMBL8933654 0.92 RARB (0.34) FPR2GABRA1GABRB2PTPN11
SCHEMBL8933584 0.92 RARB (0.34) FPR2GABRA1GABRB2PTPN11
SCHEMBL8933708 0.92 RARB (0.34) FPR2GABRA1GABRB2PTPN11

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-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed