SCHEMBL19985444

SCHEMBL19985444

CC/C=C\Oc1ccc(-c2ccc(C3CCC(CCCCC)CC3)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 1/20 0.32
SPHK1 Q9NYA1 3/20 0.31
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 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
SCHEMBL19985463 0.99 MAPT (0.33) CYP2C9MAPTGAAALDH1A1LMNA
SCHEMBL19985449 0.99 MAPT (0.33) CYP2C9MAPTGAAALDH1A1LMNA
SCHEMBL8934123 0.94 CYP3A4 (0.32) CYP2C9MAPTGAA
SCHEMBL15723069 0.93 CYP2C9 (0.39) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL8960088 0.92 CYP3A4 (0.31) CYP2C9
SCHEMBL8935779 0.91 GAA (0.31) MAPTGAA
SCHEMBL19985435 0.91 CYP2C9 (0.33) CYP2C9MAPTGAAALDH1A1LMNA
SCHEMBL15723060 0.91 CYP2C9 (0.33) CYP2C9MAPTGAAALDH1A1LMNA
SCHEMBL19985440 0.90 MAPT (0.34) CYP2C9MAPTGAAALDH1A1LMNA
SCHEMBL19985450 0.90 MAPT (0.34) CYP2C9MAPTGAAALDH1A1LMNA

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