SCHEMBL7446996

SCHEMBL7446996

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.45
ITGA2B P08514 11/20 0.45
F2R P25116 1/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
PADI1 Q9ULC6 1/20 0.38
PADI4 Q9UM07 1/20 0.38
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
YAP1 P46937 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
EPHX1 P07099 1/20 0.36
SSTR2 P30874 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
SCHEMBL7442054 0.91 ITGB3 (0.46) ITGB3ITGA2BF2RMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7462645 0.84 ITGB3 (0.41) ITGB3ITGA2BMEN1ALDH1A1MAPT
SCHEMBL7446981 0.84 ITGB3 (0.39) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7443488 0.84 ITGB3 (0.44) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7446988 0.84 MEN1 (0.41) ITGB3ITGA2BMEN1ALDH1A1MAPT
SCHEMBL7446210 0.83 ITGB3 (0.60) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7444301 0.83 GAA (0.41) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7467602 0.83 GAA (0.41) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7451456 0.83 HPGD (0.38) ITGB3ITGA2BMEN1ALDH1A1MAPT
SCHEMBL7442051 0.82 KMT2A (0.42) ITGB3ITGA2BMEN1ALDH1A1MAPT

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