SCHEMBL8046483

SCHEMBL8046483

C=CCCNCC=CCOc1ccc(C(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.44
VNN1 O95497 4/20 0.43
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
MMP3 P08254 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL9360246 0.87 LSS (0.46) LSSMAPTALDH1A1RAB9ANPC1
SCHEMBL8049755 0.86 LSS (0.46) LSSMAPTALDH1A1RAB9ANPC1
SCHEMBL8035630 0.86 LSS (0.60) LSSMAPTALDH1A1RAB9ANPC1
SCHEMBL8045307 0.86 LSS (0.46) LSSMAPTALDH1A1RAB9ANPC1
SCHEMBL8052792 0.83 LSS (0.43) LSSMAPTALDH1A1RAB9ANPC1
SCHEMBL8035335 0.82 LSS (0.48) LSSMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL8045026 0.78 MAPT (0.48) LSSMAPTALDH1A1RAB9ANPC1
SCHEMBL8047800 0.76 ALDH1A1 (0.49) LSSVNN1MAPTALDH1A1RAB9A
SCHEMBL8905081 0.76 ALDH1A1 (0.49) LSSVNN1MAPTALDH1A1RAB9A
SCHEMBL8035910 0.76 VNN1 (0.46) LSSVNN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636367-B1 Use of phenylalkylamines for producing cholesterol lowering agents HOFFMANN LA ROCHE (CH) 2000-03-29 EP claimed