SCHEMBL8517490

SCHEMBL8517490

CCC/C=C/[C@H]1CC[C@H](CCc2cnc(-c3ccc(Cl)cc3)nc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
RARB P10826 1/20 0.34
CNR1 P21554 2/20 0.33
MAOB P27338 1/20 0.32
SLC6A3 Q01959 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 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
SCHEMBL9311978 1.00 SMN1; SMN2 (0.34) SMN1; SMN2RAB9AHSD17B10NPC1LMNA
SCHEMBL8517492 1.00 SMN1; SMN2 (0.34) SMN1; SMN2RAB9AHSD17B10NPC1LMNA
SCHEMBL8517493 1.00 SMN1; SMN2 (0.34) SMN1; SMN2RAB9AHSD17B10NPC1LMNA
SCHEMBL9311921 0.91 LMNA (0.35) SMN1; SMN2RAB9AHSD17B10NPC1LMNA
SCHEMBL8517254 0.91 LMNA (0.35) SMN1; SMN2RAB9AHSD17B10NPC1LMNA
SCHEMBL8517258 0.91 LMNA (0.35) SMN1; SMN2RAB9AHSD17B10NPC1LMNA
SCHEMBL9312756 0.88 CNR1 (0.31) RARBCNR1
SCHEMBL8517918 0.88 CNR1 (0.31) RARBCNR1
SCHEMBL8517917 0.88 CNR1 (0.31) RARBCNR1
SCHEMBL8517916 0.88 CNR1 (0.31) RARBCNR1

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