SCHEMBL7446606

SCHEMBL7446606

C#CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)OCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
MAPK1 P28482 1/20 0.40
YAP1 P46937 3/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
CAPN1 P07384 2/20 0.38
KMT2A Q03164 3/20 0.38
GPR119 Q8TDV5 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL7446597 0.87 STS (0.41) STSL3MBTL1ITGB3ITGA2BMAPK1
SCHEMBL7439750 0.87 ITGB3 (0.39) L3MBTL1ITGB3ITGA2BKMT2AALDH1A1
SCHEMBL7439593 0.87 ITGB3 (0.54) ITGB3ITGA2BMAPK1CAPN1ALDH1A1
SCHEMBL7446600 0.86 STS (0.42) STSITGB3ITGA2BMMP1MMP3
SCHEMBL7467602 0.86 GAA (0.41) L3MBTL1ITGB3ITGA2BKMT2AALDH1A1
SCHEMBL7444301 0.86 GAA (0.41) L3MBTL1ITGB3ITGA2BKMT2AALDH1A1
SCHEMBL7445660 0.86 ITGB3 (0.48) STSL3MBTL1ITGB3ITGA2BALDH1A1
SCHEMBL7437047 0.86 ITGB3 (0.38) L3MBTL1ITGB3ITGA2BKMT2AALDH1A1
SCHEMBL7445261 0.85 L3MBTL1 (0.48) STSL3MBTL1ITGB3ITGA2BMAPK1
SCHEMBL7459685 0.84 MEN1 (0.38) ITGB3ITGA2BKMT2AALDH1A1HPGD

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-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
WO-1996029309-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-26 WO disclosed