SCHEMBL7438522

SCHEMBL7438522

C#CC[C@H](NC(=O)C1CCN(C(=O)/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)CC1)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
CAPN1 P07384 2/20 0.39
HPGD P15428 2/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
STS P08842 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 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
SCHEMBL7444301 0.92 GAA (0.41) GAAALOX15SMN1; SMN2KMT2AMEN1
SCHEMBL7467602 0.92 GAA (0.41) GAAALOX15SMN1; SMN2KMT2AMEN1
SCHEMBL7452051 0.86 ALDH1A1 (0.41) GAAALOX15SMN1; SMN2KMT2AMEN1
SCHEMBL7439750 0.84 ITGB3 (0.39) GAAALOX15SMN1; SMN2KMT2AMEN1
SCHEMBL7437047 0.84 ITGB3 (0.38) GAAALOX15SMN1; SMN2KMT2AMEN1
SCHEMBL7438515 0.83 KMT2A (0.38) ALOX15SMN1; SMN2KMT2AMEN1CAPN1
SCHEMBL7459685 0.83 MEN1 (0.38) GAAALOX15SMN1; SMN2KMT2AMEN1
SCHEMBL7438518 0.82 KMT2A (0.38) GAAALOX15KMT2AMEN1HPGD
SCHEMBL7450745 0.81 GAA (0.42) GAAALOX15SMN1; SMN2KMT2AMEN1
SCHEMBL7816444 0.80 ITGB3 (0.47) GAAALOX15SMN1; SMN2KMT2AMEN1

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