SCHEMBL7279464

SCHEMBL7279464

C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.55
▸ FOLH1 Q04609 2/20 0.53
▸ TGM2 P21980 1/20 0.53
▸ SIRT2 Q8IXJ6 1/20 0.53
▸ SIRT1 Q96EB6 1/20 0.53
▸ ECE1 P42892 2/20 0.52
▸ MME P08473 1/20 0.52
▸ CPB1 P15086 1/20 0.52
▸ CPB2 Q96IY4 1/20 0.52
▸ CTSL P07711 6/20 0.51
▸ CTSS P25774 1/20 0.51
▸ ITGB3 P05106 1/20 0.49
▸ ITGAV P06756 1/20 0.49
▸ CTSB P07858 1/20 0.49
▸ CAPN1 P07384 1/20 0.49

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 0.90 ECE1 (0.63) CTSKFOLH1SIRT2SIRT1ECE1
SCHEMBL7282552 0.89 CTSK (0.51) CTSKSIRT2SIRT1CTSLCTSS
SCHEMBL5711357 0.89 FOLH1 (0.60) FOLH1TGM2SIRT2SIRT1ECE1
SCHEMBL5711236 0.89 FOLH1 (0.60) FOLH1TGM2SIRT2SIRT1ECE1
SCHEMBL9293333 0.89 FOLH1 (0.68) FOLH1TGM2SIRT2SIRT1CPB1
SCHEMBL29674796 0.88 ECE1 (0.59) CTSKFOLH1SIRT2SIRT1ECE1
SCHEMBL29372806 0.86 MME (0.61) CTSKFOLH1ECE1MMECAPN1
SCHEMBL9830575 0.84 CAPN1 (0.62) CTSKECE1MMECTSLCTSS
SCHEMBL4558745 0.84 CTSK (0.60) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL4561159 0.84 CTSK (0.60) CTSKCTSLCTSSCTSBCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4518528-A α Amino fluoro ketones MP BIOMEDICALS, LLC 1985-05-21 — — US disclosed
EP-0130679-A2 Alpha amino fluoro ketones ENZYME SYSTEMS PRODUCTS INC. (US) 1985-01-09 — — EP disclosed
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