SCHEMBL8517951

SCHEMBL8517951

CCCC=C[C@H]1CC[C@H](CCc2ccc(-c3ccc(F)cc3)nc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.39
SMN1; SMN2 Q16637 7/20 0.39
NPC1 O15118 7/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
MITF O75030 1/20 0.39
KLF5 Q13887 1/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 2/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AURKA O14965 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
LCK P06239 1/20 0.38

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
SCHEMBL9313262 1.00 RAB9A (0.39) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL8517948 1.00 RAB9A (0.39) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL8517950 1.00 RAB9A (0.39) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL8518128 0.91 AURKA (0.40) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL9313421 0.91 AURKA (0.40) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL8518126 0.91 AURKA (0.40) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL8517626 0.89 RAB9A (0.39) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL8517628 0.89 RAB9A (0.39) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL9311813 0.89 RAB9A (0.39) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL8517629 0.89 RAB9A (0.39) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1

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