SCHEMBL9286994

SCHEMBL9286994

C=CCOc1ccc(-c2ccc(-c3ccc(C#CCCC(C)CF)cn3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 1/20 0.35
CYP2D6 P10635 1/20 0.34
MCHR1 Q99705 1/20 0.34
GRM5 P41594 1/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
SRC P12931 2/20 0.31
ABL1 P00519 1/20 0.31
RAB9A P51151 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
SCHEMBL9288293 0.86 GRM5 (0.33) L3MBTL1GRM5MAPTMAPK1RAB9A
SCHEMBL7557875 0.85 KDM4E (0.38) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL7554909 0.84 ALDH1A1 (0.38) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL7557233 0.80 KDM4E (0.35) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL7554200 0.80 KDM4E (0.35) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL7553635 0.80 KDM4E (0.35) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL7554874 0.79 KDM4E (0.35) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9285069 0.78 RAB9A (0.50) KDM4EALDH1A1HPGDL3MBTL1CYP2D6
SCHEMBL9288543 0.78 RAB9A (0.36) KDM4EALDH1A1HPGDL3MBTL1CYP2D6
SCHEMBL8600121 0.77 SRC (0.39) KDM4EALDH1A1HPGDL3MBTL1HTT

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
EP-0667384-A1 Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-08-16 EP disclosed