SCHEMBL7561596

SCHEMBL7561596

C=CCOc1ccc(-c2cnc(C#CCCCC(C)F)cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.38
CYP2D6 P10635 2/20 0.34
MCHR1 Q99705 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.30
DCTPP1 Q9H773 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL7562624 0.99 ACACB (0.37) ACACBCYP2D6MCHR1KDM4EALDH1A1
SCHEMBL7554215 0.92 CYP2D6 (0.36) ACACBCYP2D6MCHR1KDM4EALDH1A1
SCHEMBL7554101 0.87 ACACB (0.36) ACACBCYP2D6MCHR1KDM4EALDH1A1
SCHEMBL7554909 0.86 ALDH1A1 (0.38) CYP2D6MCHR1KDM4EALDH1A1MAPT
SCHEMBL8597157 0.85 CYP2D6 (0.34) ACACBCYP2D6MCHR1KDM4EALDH1A1
SCHEMBL7557875 0.85 KDM4E (0.38) CYP2D6MCHR1KDM4EALDH1A1MAPT
SCHEMBL7554874 0.85 KDM4E (0.35) ACACBCYP2D6MCHR1KDM4EALDH1A1
SCHEMBL7556478 0.85 ACACB (0.36) ACACB
SCHEMBL7554200 0.84 KDM4E (0.35) CYP2D6MCHR1KDM4EALDH1A1MAPT
SCHEMBL7557233 0.84 KDM4E (0.35) ACACBCYP2D6MCHR1KDM4EALDH1A1

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 3 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-0708165-A1 Liquid crystal, liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-24 EP disclosed