SCHEMBL7555432

SCHEMBL7555432

C=CCc1ccc(-c2ccc(-c3ccc(C#CCCCC(C)F)cc3)nc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 2/20 0.32
ACACB O00763 2/20 0.32
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
STAT3 P40763 1/20 0.31
ATM Q13315 1/20 0.31
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL7551619 1.00 RAB9A (0.32) RAB9AL3MBTL1MAPTACACBNPC1
SCHEMBL7552712 0.95 L3MBTL1 (0.33) RAB9AL3MBTL1MAPTNPC1SMN1; SMN2
SCHEMBL7549550 0.95 RAB9A (0.35) RAB9AL3MBTL1MAPTNPC1SMN1; SMN2
SCHEMBL7560671 0.94 RAB9A (0.36) RAB9AL3MBTL1MAPTACACBNPC1
SCHEMBL7557671 0.94 RAB9A (0.33) RAB9AL3MBTL1MAPTNPC1SMN1; SMN2
SCHEMBL7553223 0.93 ACACB (0.34) ACACB
SCHEMBL7556983 0.89 ACACB (0.33) ACACB
SCHEMBL7559816 0.89 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL8604574 0.89 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL7554324 0.88 ACACB (0.31) ACACB

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