SCHEMBL8517790

SCHEMBL8517790

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.37
SMN1; SMN2 Q16637 8/20 0.37
NPC1 O15118 8/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAOB P27338 2/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
MAPK1 P28482 1/20 0.37
KDM1A O60341 1/20 0.37
GRM2 Q14416 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 2/20 0.36
STAT3 P40763 1/20 0.36
ATM Q13315 1/20 0.36
CASP3 P42574 2/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
KDM4E B2RXH2 3/20 0.35

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
SCHEMBL8517788 1.00 RAB9A (0.37) RAB9ASMN1; SMN2NPC1L3MBTL1MAOB
SCHEMBL8517786 1.00 RAB9A (0.37) RAB9ASMN1; SMN2NPC1L3MBTL1MAOB
SCHEMBL9136975 0.97 RAB9A (0.35) RAB9ASMN1; SMN2NPC1L3MBTL1MAOB
SCHEMBL9312012 0.89 RAB9A (0.38) RAB9ASMN1; SMN2NPC1L3MBTL1MAOB
SCHEMBL8517338 0.89 RAB9A (0.38) RAB9ASMN1; SMN2NPC1L3MBTL1MAOB
SCHEMBL8517344 0.89 RAB9A (0.38) RAB9ASMN1; SMN2NPC1L3MBTL1MAOB
SCHEMBL9311825 0.88 AURKA (0.41) RAB9ASMN1; SMN2NPC1L3MBTL1MAOB
SCHEMBL8518233 0.88 AURKA (0.41) RAB9ASMN1; SMN2NPC1L3MBTL1MAOB
SCHEMBL8518235 0.88 AURKA (0.41) RAB9ASMN1; SMN2NPC1L3MBTL1MAOB
SCHEMBL8518231 0.88 AURKA (0.41) RAB9ASMN1; SMN2NPC1L3MBTL1MAOB

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 2 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
EP-0475273-A1 Halogenated alcenyl compounds F. HOFFMANN-LA ROCHE AG (CH) 1992-03-18 EP disclosed