SCHEMBL8905684

SCHEMBL8905684

CC(C)OC(=O)CCC1CCC(NC(=O)c2occ3cc(C(=N)N)ccc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.37
PRSS1 P07477 13/20 0.37
ST14 Q9Y5Y6 10/20 0.37
PRSS2 P07478 7/20 0.37
PRSS3 P35030 7/20 0.37
PLG P00747 7/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
DRD3 P35462 2/20 0.36
F10 P00742 2/20 0.36
PLAU P00749 5/20 0.35
PLAT P00750 5/20 0.35
KLKB1 P03952 3/20 0.35
SMYD3 Q9H7B4 1/20 0.35
KLK1 P06870 2/20 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
SCHEMBL8904747 0.91 ST14 (0.39) F2PRSS1ST14PRSS2PRSS3
SCHEMBL8904820 0.89 ST14 (0.38) F2PRSS1ST14PRSS2PRSS3
SCHEMBL8904382 0.89 ST14 (0.41) F2PRSS1ST14PRSS2PRSS3
SCHEMBL8904170 0.86 ITGB3 (0.40) F2PRSS1ST14PRSS2PRSS3
SCHEMBL8905129 0.86 ST14 (0.36) F2PRSS1ST14PRSS2PRSS3
SCHEMBL8904665 0.85 F2 (0.39) F2PRSS1ST14PRSS2PRSS3
SCHEMBL8713948 0.84 ITGB3 (0.47) F2
SCHEMBL8905672 0.84 ITGB3 (0.47) F2
SCHEMBL8905591 0.81 ITGB3 (0.43) F2PRSS1ST14PRSS2PRSS3
SCHEMBL8903365 0.78 ITGB3 (0.38) F2PRSS1ST14PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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