SCHEMBL10985362

SCHEMBL10985362

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 5/20 0.53
▸ CTSL P07711 4/20 0.53
▸ CASP3 P42574 3/20 0.53
▸ CTSK P43235 6/20 0.52
▸ CTSB P07858 3/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CAPN1 P07384 1/20 0.48
▸ ATM Q13315 1/20 0.48

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
SCHEMBL20485154 0.91 CASP3 (0.62) CTSSCTSLCASP3CTSKCTSB
SCHEMBL10073939 0.91 CASP3 (0.62) CTSSCTSLCASP3CTSKCTSB
SCHEMBL22811283 0.91 CASP3 (0.62) CTSSCTSLCASP3CTSKCTSB
SCHEMBL9439818 0.90 MME (0.57) CTSSCTSLCTSKCTSBCAPN1
SCHEMBL4558745 0.86 CTSK (0.60) CTSSCTSLCTSKCTSBCAPN1
SCHEMBL29577075 0.86 CTSK (0.60) CTSSCTSLCTSKCTSBCAPN1
SCHEMBL4561159 0.86 CTSK (0.60) CTSSCTSLCTSKCTSBCAPN1
SCHEMBL10608051 0.86 CTSK (0.60) CTSSCTSLCTSKCTSBCAPN1
SCHEMBL10452681 0.86 MME (0.56) CTSSCTSLCTSKCTSBMEN1
SCHEMBL9440145 0.86 ALDH1A1 (0.59) CTSSCTSLCTSKCTSBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4517379-A ARTIFICIAL SWEETENER PFIZER INC. (US) 1985-05-14 — — US disclosed
EP-0069811-B1 BRANCHED AMIDES OF L-ASPARTYL-D-AMINO ACID DIPEPTIDES AND COMPOSITIONS THEREOF PFIZER INC. (US) 1984-10-24 — — EP disclosed
US-4454328-A SWEETENERS PFIZER INC. (US) 1984-06-12 — — US disclosed
US-4399163-A ARTIFICIAL SWEETENERS PFIZER INC. (US) 1983-08-16 — — US disclosed
EP-0069811-A1 Branched amides of L-aspartyl-D-amino acid dipeptides and compositions thereof PFIZER INC. (US) 1983-01-19 — — EP disclosed
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