SCHEMBL7557233

SCHEMBL7557233

C=CCOc1ccc(-c2ccc(-c3ccc(C#CCCCC(C)F)cc3)nc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

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
MAPT P10636 2/20 0.32
RAB9A P51151 1/20 0.32
MCHR1 Q99705 2/20 0.31
MAPK1 P28482 1/20 0.31
ACACB O00763 1/20 0.31
DGAT1 O75907 2/20 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
SCHEMBL7553635 1.00 KDM4E (0.35) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL7554200 0.96 KDM4E (0.35) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL7554874 0.95 KDM4E (0.35) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL7557875 0.95 KDM4E (0.38) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL7554909 0.94 ALDH1A1 (0.38) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL7554215 0.93 CYP2D6 (0.36) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL7554326 0.91 CYP2D6 (0.36) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL7561123 0.90 CYP2D6 (0.40) KDM4EALDH1A1CYP2D6MAPTRAB9A
SCHEMBL8604072 0.90 CYP2D6 (0.40) KDM4EALDH1A1CYP2D6MAPTRAB9A
SCHEMBL7554908 0.89 CYP2D6 (0.34) KDM4EALDH1A1CYP2D6MAPTRAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708165-B1 Liquid crystal, liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL CO (JP) 2002-01-09 EP disclosed
US-6246452-B1 FERROELECTRIC CHIRAL SMECTIC LIQUID CRYSTAL MIXTURE HAVING IMPROVED RESPONSE SPEED WHICH CAN BE USED AS AN OPTICAL SHUTTER OR DISPLAY DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-12 US disclosed
EP-0667384-B1 Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same SUMITOMO CHEMICAL CO (JP) 1998-12-16 EP disclosed
US-5779934-A FLUORINATING AN ALCOHOL DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-14 US disclosed
EP-0708165-A1 Liquid crystal, liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
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