SCHEMBL8048876

SCHEMBL8048876

C=CCc1cnc(-c2ccc(-c3ccc(C=CCCCC(C)OCCCCC)c(F)c3F)cc2)nc1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.32
KDM4E B2RXH2 2/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
RARB P10826 1/20 0.31
CNR1 P21554 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8048871 1.00 CNR2 (0.32) CNR2KDM4ERAB9ANPC1RARB
SCHEMBL8051221 0.94 CNR2 (0.33) CNR2KDM4ERAB9ANPC1CNR1
SCHEMBL8051227 0.94 CNR2 (0.33) CNR2KDM4ERAB9ANPC1CNR1
SCHEMBL8046016 0.93 CNR2 (0.30) CNR2
SCHEMBL8046008 0.93 CNR2 (0.30) CNR2
SCHEMBL8051219 0.90 CNR2 (0.35) CNR2RARBCNR1ALDH1A1
SCHEMBL8051226 0.90 CNR2 (0.35) CNR2RARBCNR1ALDH1A1
SCHEMBL8047709 0.90 RAB9A (0.35) CNR2KDM4ERAB9ANPC1CNR1
SCHEMBL8047704 0.90 RAB9A (0.35) CNR2KDM4ERAB9ANPC1CNR1
SCHEMBL8036950 0.90 NPC1 (0.33) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10

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-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed