SCHEMBL19985375

SCHEMBL19985375

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.34
PTPN11 Q06124 1/20 0.32
FPR2 P25090 1/20 0.31
THRA P10827 2/20 0.31
THRB P10828 2/20 0.31
SPHK2 Q9NRA0 7/20 0.31

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
SCHEMBL19985374 1.00 SPHK1 (0.34) SPHK1PTPN11FPR2THRATHRB
SCHEMBL19985373 1.00 SPHK1 (0.34) SPHK1PTPN11FPR2THRATHRB
SCHEMBL19985379 1.00 SPHK1 (0.34) SPHK1PTPN11FPR2THRATHRB
SCHEMBL19985378 0.99 SPHK1 (0.32) SPHK1PTPN11FPR2
SCHEMBL19985370 0.96 RAB9A (0.33) SPHK1FPR2
SCHEMBL8933654 0.93 RARB (0.34) PTPN11FPR2THRATHRB
SCHEMBL8933708 0.93 RARB (0.34) PTPN11FPR2THRATHRB
SCHEMBL8933647 0.93 RARB (0.34) PTPN11FPR2THRATHRB
SCHEMBL8933584 0.93 RARB (0.34) PTPN11FPR2THRATHRB
SCHEMBL19985369 0.93 FPR2 (0.34) FPR2

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