SCHEMBL19985436

SCHEMBL19985436

C/C=C/COc1ccc(-c2ccc(C3CCC(CCC)CC3)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR2 Q92731 2/20 0.33
DGAT1 O75907 2/20 0.32
SOAT1 P35610 1/20 0.32
HTR1A P08908 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL19985432 0.95 CYP2C9 (0.35) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL19985442 0.94 CYP2C9 (0.34) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL19985469 0.93 CYP2C9 (0.34) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL19985446 0.93 CYP2C9 (0.34) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL19985421 0.92 FFAR4 (0.32) CYP2C9ESR2HTR1AFFAR4
SCHEMBL19985425 0.89 CYP2C9 (0.39) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL29432462 0.89 CYP2C9 (0.44) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL4402617 0.89 CYP2C9 (0.44) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL2604710 0.89 CYP2C9 (0.44) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL26209573 0.89 CYP2C9 (0.44) CYP2C9ALDH1A1MAPTLMNAMEN1

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 2 patents. 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
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed