SCHEMBL19985316

SCHEMBL19985316

CCCCCCOc1ccc(-c2ccc(C3CCC(C)CC3)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.37
ESR2 Q92731 1/20 0.35
RAB9A P51151 1/20 0.35
PTPN11 Q06124 2/20 0.34
SPHK2 Q9NRA0 7/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL19985314 1.00 SPHK1 (0.37) SPHK1ESR2RAB9APTPN11SPHK2
SCHEMBL17086860 1.00 SPHK1 (0.37) SPHK1ESR2RAB9APTPN11SPHK2
SCHEMBL19985313 1.00 SPHK1 (0.37) SPHK1ESR2RAB9APTPN11SPHK2
SCHEMBL16638902 1.00 SPHK1 (0.37) SPHK1ESR2RAB9APTPN11SPHK2
SCHEMBL17086817 1.00 SPHK1 (0.37) SPHK1ESR2RAB9APTPN11SPHK2
SCHEMBL19985312 0.99 ESR2 (0.36) SPHK1ESR2RAB9APTPN11SPHK2
SCHEMBL19985315 0.95 RAB9A (0.39) SPHK1ESR2RAB9AFPR2
SCHEMBL15849837 0.92 ESR2 (0.38) ESR2RAB9AFPR2
SCHEMBL19985320 0.90 SPHK1 (0.36) SPHK1PTPN11SPHK2FPR2
SCHEMBL19985318 0.90 SPHK1 (0.36) SPHK1PTPN11SPHK2FPR2

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