SCHEMBL7323841

SCHEMBL7323841

COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.63
KLK5 Q9Y337 2/20 0.63
MAPT P10636 1/20 0.63
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
SIRT2 Q8IXJ6 1/20 0.58
SIRT1 Q96EB6 1/20 0.58
SIRT3 Q9NTG7 1/20 0.58
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
FOLH1 Q04609 2/20 0.54
CPB1 P15086 1/20 0.53
CPB2 Q96IY4 1/20 0.53
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL25540903 0.96 KLK7 (0.67) KLK7KLK5MAPTCA1CA2
SCHEMBL2329138 0.96 KLK7 (0.67) KLK7KLK5MAPTCA1CA2
SCHEMBL2329143 0.96 KLK7 (0.67) KLK7KLK5MAPTCA1CA2
SCHEMBL9496190 0.95 KLK7 (0.61) KLK7KLK5MAPTCA1CA2
SCHEMBL25932586 0.94 MAPT (0.60) KLK7KLK5MAPTCA1CA2
SCHEMBL11982665 0.94 KLK7 (0.58) KLK7KLK5MAPTCA1CA2
SCHEMBL3826731 0.94 KLK7 (0.60) KLK7KLK5MAPTCA1CA2
SCHEMBL24130643 0.93 KLK7 (0.59) KLK7KLK5MAPTCA1CA2
SCHEMBL24130639 0.93 KLK7 (0.59) KLK7KLK5MAPTCA1CA2
SCHEMBL7316805 0.93 MAPT (0.64) KLK7KLK5MAPTSIRT2SIRT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024094098-A1 COMPOUND FOR DELIVERY SYSTEM AND USE THEREOF 益杰立科(上海)生物科技有限公司 2024-05-10 WO disclosed
US-4691007-A HUMAN LEUKOCYTE ELASTASE INHIBITORS ICI AMERICAS INC. (US) 1987-09-01 US disclosed
US-4596789-A Pharmaceuticals ICI AMERICAS INC. (US) 1986-06-24 US disclosed
EP-0124317-A2 Proline derivatives ICI AMERICAS INC. (US) 1984-11-07 EP disclosed