SCHEMBL7459685

SCHEMBL7459685

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ITGB3 P05106 13/20 0.37
ITGA2B P08514 13/20 0.37
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2R P25116 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
EPHX1 P07099 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
SCHEMBL7467602 0.90 GAA (0.41) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL7444301 0.90 GAA (0.41) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL7439750 0.88 ITGB3 (0.39) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL7459675 0.87 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL7437047 0.87 ITGB3 (0.38) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL7459678 0.85 KMT2A (0.41) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL7496508 0.85 ITGB3 (0.49) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL7452051 0.85 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL7446606 0.84 STS (0.42) MEN1KMT2AALDH1A1ITGB3ITGA2B
SCHEMBL7438522 0.83 GAA (0.40) MEN1KMT2AALDH1A1HPGDGAA

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 1 patent. 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