SCHEMBL7595080

SCHEMBL7595080

COC(=O)c1ccc(NC(=O)OCc2ccccc2)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TOP2A P11388 1/20 0.48
TOP2B Q02880 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ATM Q13315 2/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.45
SYK P43405 1/20 0.45
ENPP2 Q13822 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
ROCK2 O75116 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL7400180 0.92 MGLL (0.50) MGLLNPC1RAB9ATOP2ATOP2B
SCHEMBL7396740 0.85 MGLL (0.52) MGLLNPC1RAB9ATOP2ATOP2B
SCHEMBL7043026 0.83 POLB (0.62) MGLLNPC1RAB9ATOP2ATOP2B
SCHEMBL13193091 0.82 MGLL (0.51) MGLLNPC1RAB9ATOP2ATOP2B
SCHEMBL15055245 0.81 RAB9A (0.54) MGLLNPC1RAB9ATOP2ATOP2B
SCHEMBL7047665 0.81 MGLL (0.47) MGLLNPC1RAB9ATOP2ATOP2B
SCHEMBL7403970 0.81 NPC1 (0.46) MGLLNPC1RAB9ATOP2ATOP2B
SCHEMBL17653872 0.80 MGLL (0.52) MGLLNPC1RAB9ATOP2ATOP2B
SCHEMBL7402970 0.80 NPC1 (0.47) MGLLNPC1RAB9ATOP2ATOP2B
SCHEMBL3752705 0.80 MGLL (0.51) MGLLNPC1RAB9ASMN1; SMN2ALDH1A1

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 4 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