SCHEMBL5722894

SCHEMBL5722894

CCCCCCOc1cnc(-c2ccc3c(OCC4OC4CCC)c(F)c(F)cc3c2)nc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SPHK2 Q9NRA0 3/20 0.31
MAPT P10636 2/20 0.31
RARB P10826 3/20 0.30
SPHK1 Q9NYA1 1/20 0.30
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR1B P28222 1/20 0.30
HTR2B P41595 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
SCHEMBL5722715 0.84
SCHEMBL7877167 0.79 NPC1 (0.51) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9228238 0.79 NPC1 (0.51) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7872699 0.79 SPHK2 (0.42) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7872703 0.79 SPHK2 (0.42) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL5722644 0.78 NPC1 (0.40) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL10000265 0.75 NPC1 (0.51) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL5722664 0.75 RARB (0.45) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9405519 0.74 NPC1 (0.50) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8390895 0.74 TSHR (0.42) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028944-B1 FLUORINATED NAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES AVENTIS RES & TECH GMBH & CO (DE) 2006-01-11 EP disclosed
US-6491989-B1 6,7-DIFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES, 1,1,6,7-TETRAFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES, 1,6,7-TRIFLUORONAPHTHALENE DERIVATIVES AND 2,3-DIFLUORONAPHTHALENE DERIVATIVES AVENTIS RESEACH & TECHNOLOGIES GMBH & CO. KG (DE) 2002-12-10 US disclosed
EP-1028944-A1 FLUORINATED NAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES Aventis Research & Technologies GmbH & Co. KG (DE) 2000-08-23 EP disclosed
WO-1999023074-A1 FLUORINATED NAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-05-14 WO disclosed