SCHEMBL19985334

SCHEMBL19985334

CCCCCCC1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
SPHK1 Q9NYA1 9/20 0.36
CYP2C9 P11712 1/20 0.36
ESR2 Q92731 1/20 0.35
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
KDM1A O60341 2/20 0.33
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
FPR2 P25090 1/20 0.33
SPHK2 Q9NRA0 3/20 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
SCHEMBL19985354 1.00 MAPT (0.36) MAPTGAASPHK1CYP2C9ESR2
SCHEMBL19985348 1.00 MAPT (0.36) MAPTGAASPHK1CYP2C9ESR2
SCHEMBL2604706 0.99 CYP2C9 (0.36) MAPTGAASPHK1CYP2C9ESR2
SCHEMBL8036679 0.99 CYP2C9 (0.36) MAPTGAASPHK1CYP2C9ESR2
SCHEMBL22277505 0.98 CYP2C9 (0.36) MAPTGAASPHK1CYP2C9ESR2
SCHEMBL13263301 0.98 CYP2C9 (0.36) MAPTGAASPHK1CYP2C9ESR2
SCHEMBL2604711 0.95 CYP2C9 (0.37) MAPTGAASPHK1CYP2C9ESR2
SCHEMBL25138397 0.94 MAPT (0.36) MAPTGAASPHK1CYP2C9ESR2
SCHEMBL19985349 0.94 MAPT (0.36) MAPTGAASPHK1CYP2C9ESR2
SCHEMBL9406404 0.94 MAPT (0.36) MAPTGAASPHK1CYP2C9ESR2

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