SCHEMBL8517255

SCHEMBL8517255

C/C=C/CC1CCC(CCc2cnc(-c3ccc(Cl)cc3)nc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CNR1 P21554 2/20 0.35
MAPT P10636 1/20 0.34
MAOB P27338 1/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HSD17B10 Q99714 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
RARB P10826 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8517352 0.87 PDGFRB (0.32) CNR1NPC1RAB9APDGFRBPDGFRA
SCHEMBL8517281 0.87 GRM2 (0.35) CNR1PDGFRBPDGFRA
SCHEMBL8517342 0.86 RAB9A (0.37) SMN1; SMN2MAPTMAOBNPC1RAB9A
SCHEMBL8517879 0.85 LMNA (0.36) LMNAPOLBSMN1; SMN2CNR1MAPT
SCHEMBL9312712 0.85 LMNA (0.36) LMNAPOLBSMN1; SMN2CNR1MAPT
SCHEMBL8517878 0.85 LMNA (0.36) LMNAPOLBSMN1; SMN2CNR1MAPT
SCHEMBL9312709 0.85 LMNA (0.36) LMNAPOLBSMN1; SMN2CNR1MAPT
SCHEMBL8517670 0.85 NPY5R (0.34) PDGFRBPDGFRA
SCHEMBL8517885 0.84 MAOB (0.44) MAOBFAAH
SCHEMBL9311774 0.84 ACACB (0.32) PDGFRBPDGFRA

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-0475273-B1 Liquid crystal mixture containing halogenated alcenyl compounds MERCK PATENT GMBH (DE) 1999-04-07 EP disclosed
US-5292452-A Electrooptical devices; high dielectric anisotropy, low rotation viscosity, short response time HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0475273-A1 Halogenated alcenyl compounds F. HOFFMANN-LA ROCHE AG (CH) 1992-03-18 EP disclosed