SCHEMBL7597350

SCHEMBL7597350

CCOC(=O)C=CCCCc1ccc(NC(=O)OCc2ccccc2)c(N)c1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SYK P43405 1/20 0.36
CTSL P07711 3/20 0.35
CTSB P07858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
KCNQ3 O43525 2/20 0.34
KCNQ2 O43526 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
APAF1 O14727 1/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
G6PD P11413 1/20 0.34

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
SCHEMBL7399366 0.82 MAPT (0.41) MAPTNPC1RAB9ASYKSMN1; SMN2
SCHEMBL7399365 0.82 MAPT (0.41) MAPTNPC1RAB9ASYKSMN1; SMN2
SCHEMBL7401757 0.77 MAPT (0.45) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7401754 0.77 MAPT (0.45) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8889937 0.72 NPC1 (0.45) MAPTNPC1RAB9ASYKSMN1; SMN2
SCHEMBL19346024 0.68 LMNA (0.55) MAPTNPC1RAB9ACTSLCTSB
SCHEMBL7402954 0.68 NPC1 (0.45) MAPTNPC1RAB9ASYKSMN1; SMN2
SCHEMBL7398862 0.67 MAPT (0.47) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL7398861 0.67 MAPT (0.47) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL13737363 0.67 NPC1 (0.49) NPC1RAB9ASYKSMN1; SMN2HDAC3

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-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed