SCHEMBL7439743

SCHEMBL7439743

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ITGB3 P05106 10/20 0.36
ITGA2B P08514 10/20 0.36
HPGD P15428 2/20 0.35
F2R P25116 1/20 0.33

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
SCHEMBL7437038 0.98 MEN1 (0.36) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL7440109 0.92 ALDH1A1 (0.39) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL7444290 0.92 ALDH1A1 (0.39) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL7439730 0.92 ALDH1A1 (0.39) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL7459675 0.89 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL7437953 0.87 ITGB3 (0.45) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL7440757 0.87 ITGB3 (0.45) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL7446597 0.87 STS (0.41) KMT2AALDH1A1ITGB3ITGA2BHPGD
SCHEMBL7452040 0.87 ALDH1A1 (0.39) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL7447066 0.87 ITGB3 (0.48) ALDH1A1ITGB3ITGA2BF2R

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