SCHEMBL19985271

SCHEMBL19985271

C/C=C/COc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.31
HTR1A P08908 1/20 0.31
TLR4 O00206 1/20 0.31
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
OPRL1 P41146 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
SCHEMBL19985284 0.94 MEN1 (0.31) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL19985289 0.93 GAA (0.31) MAPT
SCHEMBL19985304 0.92 GAA (0.32) MAPT
SCHEMBL19985297 0.92 GAA (0.32) MAPT
SCHEMBL19985310 0.92 GAA (0.32) MAPT
SCHEMBL19985597 0.92 HTR1A (0.32) CYP2C9ALDH1A1MAPTHTTHTR1A
SCHEMBL19985269 0.92
SCHEMBL19985282 0.88 HTR2C (0.38) CYP2C9ALDH1A1MAPTHTTHTR1A
SCHEMBL8963319 0.88
SCHEMBL17614853 0.88 CYP2C9 (0.35) CYP2C9ALDH1A1MAPTHTTTLR4

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