SCHEMBL19985445

SCHEMBL19985445

C=CCCOc1ccc(-c2ccc(C3CCC(CCCCCC)CC3)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
GAA P10253 1/20 0.32
CNR2 P34972 2/20 0.32
SPHK1 Q9NYA1 5/20 0.32
CYP2C9 P11712 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
CNR1 P21554 1/20 0.30
ESR2 Q92731 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
SCHEMBL19985471 1.00 MAPT (0.32) MAPTGABRA1GABRB2GAACNR2
SCHEMBL19985451 1.00 MAPT (0.32) MAPTGABRA1GABRB2GAACNR2
SCHEMBL19985441 0.99 GABRA1 (0.33) MAPTGABRA1GABRB2GAACNR2
SCHEMBL19985437 0.96 GABRA1 (0.33) MAPTGABRA1GABRB2CNR2CYP2C9
SCHEMBL19985401 0.93 GABRA1 (0.35) MAPTGABRA1GABRB2CNR2SPHK1
SCHEMBL19985398 0.93 GABRA1 (0.35) MAPTGABRA1GABRB2CNR2SPHK1
SCHEMBL19985403 0.93 GABRA1 (0.35) MAPTGABRA1GABRB2CNR2SPHK1
SCHEMBL19985422 0.93 GABRA1 (0.35) MAPTGABRA1GABRB2CNR2SPHK1
SCHEMBL8934016 0.93 GABRA1 (0.33) GABRA1GABRB2CNR2CYP2C9CNR1
SCHEMBL19985419 0.92 GABRA1 (0.35) MAPTGABRA1GABRB2CNR2SPHK1

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