SCHEMBL29674796

SCHEMBL29674796

C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCCN)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 3/20 0.59
▸ CPB1 P15086 1/20 0.59
▸ CPB2 Q96IY4 1/20 0.59
▸ CTSK P43235 2/20 0.55
▸ MME P08473 2/20 0.54
▸ ITGB3 P05106 4/20 0.53
▸ ITGA2B P08514 4/20 0.53
▸ TPSAB1 Q15661 3/20 0.52
▸ PRSS1 P07477 2/20 0.52
▸ PRSS2 P07478 1/20 0.52
▸ PRSS3 P35030 1/20 0.52
▸ ACE P12821 1/20 0.51
▸ CTSL P07711 2/20 0.51
▸ PLG P00747 1/20 0.51
▸ CTSS P25774 1/20 0.51
▸ FOLH1 Q04609 1/20 0.50
▸ SIRT2 Q8IXJ6 1/20 0.50
▸ SIRT1 Q96EB6 1/20 0.50
▸ SIRT3 Q9NTG7 1/20 0.50

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
SCHEMBL29576990 0.97 ECE1 (0.63) ECE1CPB1CPB2CTSKMME
SCHEMBL10035700 0.93 CTSK (0.55) ECE1CPB1CPB2CTSKITGB3
SCHEMBL10035721 0.93 CTSK (0.55) ECE1CPB1CPB2CTSKITGB3
SCHEMBL24188458 0.89 ECE1 (0.62) ECE1CPB1CPB2MMEITGB3
SCHEMBL210602 0.89 ITGB3 (0.64) ECE1CPB1CPB2ITGB3ITGA2B
SCHEMBL210601 0.89 ITGB3 (0.64) ECE1CPB1CPB2ITGB3ITGA2B
SCHEMBL2367228 0.89 ITGB3 (0.64) ECE1CPB1CPB2ITGB3ITGA2B
SCHEMBL7279464 0.88 CTSK (0.55) ECE1CPB1CPB2CTSKMME
Hydrochloric Acid SCHEMBL2500832 0.88 ITGB3 (0.63) ECE1CPB1CPB2ITGB3ITGA2B
SCHEMBL10067246 0.87 CTSL (0.53) ECE1CPB1CPB2CTSKMME

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
CN-112175042-B Method for synthesizing Etelcalcetide 深圳翰宇药业股份有限公司 2022-05-31 — — CN disclosed
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