SCHEMBL7399366

SCHEMBL7399366

CCOC(=O)C=CCCCc1ccc(NC(=O)OCc2ccccc2)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
SYK P43405 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MGLL Q99685 2/20 0.39
ROCK2 O75116 1/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
BACE1 P56817 2/20 0.37
ENPP2 Q13822 2/20 0.37
POLB P06746 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
SCHEMBL7399365 1.00 MAPT (0.41) MAPTSYKNPC1RAB9AALDH1A1
SCHEMBL7402954 0.87 NPC1 (0.45) MAPTSYKNPC1RAB9AALDH1A1
SCHEMBL7401754 0.84 MAPT (0.45) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL7401757 0.84 MAPT (0.45) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL7402970 0.84 NPC1 (0.47) MAPTSYKNPC1RAB9AALDH1A1
SCHEMBL7403970 0.82 NPC1 (0.46) MAPTSYKNPC1RAB9AALDH1A1
SCHEMBL7597350 0.82 MAPT (0.40) MAPTSYKNPC1RAB9AALDH1A1
SCHEMBL7043026 0.74 POLB (0.62) MAPTSYKNPC1RAB9AALDH1A1
SCHEMBL7396740 0.73 MGLL (0.52) MAPTSYKNPC1RAB9AALDH1A1
SCHEMBL7595080 0.73 MGLL (0.49) MAPTSYKNPC1RAB9AALDH1A1

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 6 patents. 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
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO disclosed