SCHEMBL19985396

SCHEMBL19985396

C=CCCC1CCC(c2ccc(-c3ccc(OCCC)c(F)c3F)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
CYP2C9 P11712 1/20 0.33
FPR2 P25090 2/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 2/20 0.32
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
SCHEMBL19985400 0.95 CNR2 (0.35) GABRA1GABRB2CYP2C9ALDH1A1LMNA
SCHEMBL19985419 0.94 GABRA1 (0.35) GABRA1GABRB2CYP2C9FPR2ALDH1A1
SCHEMBL8933800 0.93 GABRA1 (0.38) GABRA1GABRB2CYP2C9FPR2
SCHEMBL19985398 0.93 GABRA1 (0.35) GABRA1GABRB2CYP2C9ALDH1A1LMNA
SCHEMBL19985422 0.93 GABRA1 (0.35) GABRA1GABRB2CYP2C9ALDH1A1LMNA
SCHEMBL19985403 0.93 GABRA1 (0.35) GABRA1GABRB2CYP2C9ALDH1A1LMNA
SCHEMBL19985401 0.93 GABRA1 (0.35) GABRA1GABRB2CYP2C9ALDH1A1LMNA
SCHEMBL19985394 0.93 ESR2 (0.34) GABRA1GABRB2CYP2C9FPR2ALDH1A1
SCHEMBL4401650 0.92 CYP2C9 (0.38) GABRA1GABRB2CYP2C9ALDH1A1LMNA
SCHEMBL22277348 0.92 ESR2 (0.33) GABRA1GABRB2CYP2C9FPR2ALDH1A1

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