SCHEMBL7443765

SCHEMBL7443765

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ITGB3 P05106 10/20 0.40
ITGA2B P08514 10/20 0.40
EPHX1 P07099 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
STS P08842 1/20 0.37
HSD17B10 Q99714 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 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
SCHEMBL7449634 0.90 ALDH1A1 (0.40) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL7451021 0.85 ITGB3 (0.49) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL7446169 0.85 ITGB3 (0.51) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7462632 0.84 ITGB3 (0.49) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL7443653 0.84 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL7446671 0.84 HPGD (0.51) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL7435431 0.84 HPGD (0.51) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL6539175 0.84 HPGD (0.51) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL6539187 0.84 HPGD (0.51) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL6539180 0.84 HPGD (0.51) HPGDMEN1ALDH1A1MAPTKMT2A

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 3 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
EP-0869944-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP 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