SCHEMBL8712786

SCHEMBL8712786

CC(C)(C)OC(=O)CO[C@H]1CC[C@H](NC(=O)c2cc3ccc(C(=N)N)cc3s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.40
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
HDAC1 Q13547 1/20 0.39
PRSS1 P07477 7/20 0.38
ST14 Q9Y5Y6 6/20 0.38
F2 P00734 5/20 0.38
PRSS2 P07478 5/20 0.38
PRSS3 P35030 5/20 0.38
PLG P00747 2/20 0.38
HPGDS O60760 1/20 0.38
TMPRSS15 P98073 2/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
CHRNA7 P36544 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 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
SCHEMBL8904715 1.00 F10 (0.40) F10RAB9AMEN1KMT2AITGB3
SCHEMBL8715635 0.89 ITGB3 (0.49) F10RAB9AMEN1KMT2AITGB3
SCHEMBL8905528 0.89 ITGB3 (0.49) F10RAB9AMEN1KMT2AITGB3
SCHEMBL8717391 0.87 ITGB3 (0.46) F10RAB9AMEN1KMT2AITGB3
SCHEMBL8904739 0.87 ITGB3 (0.46) F10RAB9AMEN1KMT2AITGB3
SCHEMBL8904290 0.83 CHRNA7 (0.50) RAB9AMEN1KMT2AHPGDSNPC1
SCHEMBL8714853 0.83 CHRNA7 (0.50) RAB9AMEN1KMT2AHPGDSNPC1
SCHEMBL8712416 0.81 PLG (0.47) ITGB3ITGA2BPLG
SCHEMBL8904038 0.81 PLG (0.47) ITGB3ITGA2BPLG
SCHEMBL8903361 0.80 F2 (0.51) F10RAB9AITGB3ITGA2BF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed