SCHEMBL19985332

SCHEMBL19985332

CCCCCCCCOc1ccc(-c2ccc(C3CCC(CCCC)CC3)cc2)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 7/20 0.36
CYP2C9 P11712 1/20 0.35
ESR2 Q92731 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
PTPN11 Q06124 1/20 0.33
S1PR3 Q99500 1/20 0.33
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
PLA2G2D Q9UNK4 1/20 0.33
FPR2 P25090 1/20 0.32
SPHK2 Q9NRA0 1/20 0.32

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
SCHEMBL19985330 1.00 SPHK1 (0.36) SPHK1CYP2C9ESR2MAPTALDH1A1
SCHEMBL19985331 1.00 SPHK1 (0.36) SPHK1CYP2C9ESR2MAPTALDH1A1
SCHEMBL19985333 1.00 SPHK1 (0.36) SPHK1CYP2C9ESR2MAPTALDH1A1
SCHEMBL19985325 0.99 CYP2C9 (0.36) SPHK1CYP2C9ESR2MAPTALDH1A1
SCHEMBL25138397 0.98 MAPT (0.36) SPHK1CYP2C9ESR2MAPTALDH1A1
SCHEMBL19985361 0.98 MAPT (0.36) SPHK1CYP2C9ESR2MAPTALDH1A1
SCHEMBL9406411 0.98 MAPT (0.36) SPHK1CYP2C9ESR2MAPTALDH1A1
SCHEMBL9406404 0.98 MAPT (0.36) SPHK1CYP2C9ESR2MAPTALDH1A1
SCHEMBL17084297 0.98 MAPT (0.36) SPHK1CYP2C9ESR2MAPTALDH1A1
SCHEMBL19985362 0.98 MAPT (0.36) SPHK1CYP2C9ESR2MAPTALDH1A1

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