SCHEMBL7450745

SCHEMBL7450745

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ITGB3 P05106 7/20 0.39
ITGA2B P08514 7/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.36
F2R P25116 1/20 0.35

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
SCHEMBL7467602 0.87 GAA (0.41) GAAALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL7444301 0.87 GAA (0.41) GAAALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL7450740 0.85 MEN1 (0.39) GAAALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL7452051 0.85 ALDH1A1 (0.41) GAAALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL7501427 0.84 ITGB3 (0.51) GAAALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL7450741 0.84 KMT2A (0.44) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL7445610 0.83 ALDH1A1 (0.39) GAAALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL7445225 0.83 ALDH1A1 (0.41) GAAALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL7816444 0.82 ITGB3 (0.47) GAAALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL7451208 0.81 ABL1 (0.48) GAAALOX15SMN1; SMN2MEN1KMT2A

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