SCHEMBL7467602

SCHEMBL7467602

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
ITGB3 P05106 7/20 0.39
ITGA2B P08514 7/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
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
SCHEMBL7444301 1.00 GAA (0.41) GAAALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL7452051 0.94 ALDH1A1 (0.41) GAAALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL7438522 0.92 GAA (0.40) GAAALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL7439750 0.92 ITGB3 (0.39) GAAALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL7437047 0.91 ITGB3 (0.38) GAAALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL7459685 0.90 MEN1 (0.38) GAAALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL7450745 0.87 GAA (0.42) GAAALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL7446606 0.86 STS (0.42) MEN1KMT2AALDH1A1ITGB3ITGA2B
SCHEMBL7442054 0.86 ITGB3 (0.46) GAAALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL7445610 0.86 ALDH1A1 (0.39) 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 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