SCHEMBL8518332

SCHEMBL8518332

CCC/C=C/C1CCC(CCc2ccc(-c3ccc(Cl)c(F)c3)nc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.42
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
TP53 P04637 2/20 0.42
PKM P14618 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRM2 Q14416 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MITF O75030 1/20 0.34
KLF5 Q13887 1/20 0.34
CASP3 P42574 2/20 0.32
SENP8 Q96LD8 2/20 0.32
SENP7 Q9BQF6 2/20 0.32

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
SCHEMBL8518329 1.00 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL9311871 1.00 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL8518334 1.00 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL8518019 0.92 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL9312520 0.92 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL8518010 0.92 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL9313022 0.91 RAB9A (0.47) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL9313024 0.91 RAB9A (0.47) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL9313032 0.91 RAB9A (0.47) SMN1; SMN2RAB9ANPC1TP53PKM
SCHEMBL9313026 0.91 RAB9A (0.47) SMN1; SMN2RAB9ANPC1TP53PKM

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