SCHEMBL7445261

SCHEMBL7445261

CCOC(=O)[C@H](CCCc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
ALDH1A1 P00352 3/20 0.42
STS P08842 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MAPK1 P28482 1/20 0.41
SSTR2 P30874 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
YAP1 P46937 2/20 0.40
CAPN1 P07384 1/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7445250 0.87 L3MBTL1 (0.43) L3MBTL1ITGB3ITGA2BALDH1A1STS
SCHEMBL7445255 0.87 GPR119 (0.44) L3MBTL1ITGB3ITGA2BALDH1A1STS
SCHEMBL7504291 0.86 ALDH1A1 (0.52) L3MBTL1ITGB3ITGA2BALDH1A1STS
SCHEMBL7446606 0.85 STS (0.42) L3MBTL1ITGB3ITGA2BALDH1A1STS
SCHEMBL7438635 0.84 ITGB3 (0.41) ITGB3ITGA2BALDH1A1STSSSTR2
SCHEMBL7450236 0.84 ITGB3 (0.48) L3MBTL1ITGB3ITGA2BALDH1A1STS
SCHEMBL7444180 0.83 KDM4E (0.47) L3MBTL1ITGB3ITGA2BGPR119KMT2A
SCHEMBL7467602 0.83 GAA (0.41) L3MBTL1ITGB3ITGA2BALDH1A1SMN1; SMN2
SCHEMBL7444301 0.83 GAA (0.41) L3MBTL1ITGB3ITGA2BALDH1A1SMN1; SMN2
SCHEMBL7450062 0.82 L3MBTL1 (0.42) L3MBTL1ITGB3ITGA2BSTSGPR119

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