SCHEMBL7445250

SCHEMBL7445250

CCOC(=O)CC(CCc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
ITGB3 P05106 4/20 0.42
ITGA2B P08514 4/20 0.42
ALDH1A1 P00352 3/20 0.41
STS P08842 1/20 0.41
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7450236 0.92 ITGB3 (0.48) L3MBTL1ITGB3ITGA2BALDH1A1STS
SCHEMBL7450062 0.91 L3MBTL1 (0.42) L3MBTL1ITGB3ITGA2BSTSGPR119
SCHEMBL7446872 0.87 ITGB3 (0.38) L3MBTL1ITGB3ITGA2BALDH1A1KDM4E
SCHEMBL7445261 0.87 L3MBTL1 (0.48) L3MBTL1ITGB3ITGA2BALDH1A1STS
SCHEMBL7444185 0.86 KDM4E (0.47) L3MBTL1ITGB3ITGA2BALDH1A1STS
SCHEMBL7504283 0.86 ITGB3 (0.54) L3MBTL1ITGB3ITGA2BALDH1A1NPC1
SCHEMBL7445255 0.85 GPR119 (0.44) L3MBTL1ITGB3ITGA2BALDH1A1STS
SCHEMBL7463085 0.85 ITGB3 (0.44) ITGB3ITGA2BALDH1A1STSNPC1
SCHEMBL7446597 0.84 STS (0.41) L3MBTL1ITGB3ITGA2BALDH1A1STS
SCHEMBL7438619 0.84 KMT2A (0.41) ITGB3ITGA2BALDH1A1STSNPC1

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