SCHEMBL7741760

SCHEMBL7741760

CCCC(N)C(=O)N[C@@H](CO)[C@@H](O)[C@@H](O)[C@H](O)C(=O)NC(CC(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.47
METAP1 P53582 3/20 0.47
GPR88 Q9GZN0 10/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MMP2 P08253 3/20 0.38
MMP3 P08254 2/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6559017 1.00 METAP2 (0.47) METAP2METAP1GPR88SMN1; SMN2MMP2
SCHEMBL7785830 0.95 METAP2 (0.44) METAP2METAP1GPR88SMN1; SMN2MMP2
SCHEMBL7783699 0.95 METAP2 (0.44) METAP2METAP1GPR88SMN1; SMN2MMP2
SCHEMBL7783697 0.94 METAP2 (0.43) METAP2METAP1GPR88SMN1; SMN2MMP2
SCHEMBL7787115 0.93 METAP2 (0.44) METAP2METAP1GPR88SMN1; SMN2
SCHEMBL6560877 0.93 METAP2 (0.47) METAP2METAP1GPR88SMN1; SMN2MMP2
SCHEMBL6559219 0.92 METAP2 (0.47) METAP2METAP1GPR88SMN1; SMN2MMP2
SCHEMBL6559201 0.92 METAP2 (0.47) METAP2METAP1GPR88SMN1; SMN2MMP2
Hydrochloric Acid SCHEMBL6560796 0.91 METAP2 (0.43) METAP2METAP1GPR88
Hydrochloric Acid SCHEMBL6560449 0.91 METAP2 (0.46) METAP2METAP1GPR88SMN1; SMN2MMP2

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-6423869-B1 BACTERICIDES, ANTIULCER AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-07-23 US disclosed