SCHEMBL10453892

SCHEMBL10453892

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

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.61
▸ CASP1 P29466 8/20 0.58
▸ CTSK P43235 3/20 0.57
▸ LTA4H P09960 2/20 0.56
▸ MME P08473 1/20 0.55
▸ ECE1 P42892 1/20 0.55

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
SCHEMBL10868042 0.94 CAPN1 (0.58) CAPN1CASP1CTSKLTA4HMME
SCHEMBL9656020 0.91 CAPN1 (0.62) CAPN1CASP1CTSK
SCHEMBL11697381 0.90 CASP1 (0.56) CAPN1CASP1CTSK
SCHEMBL9088735 0.88 CAPN1 (0.72) CAPN1CTSKMMEECE1
SCHEMBL7281206 0.88 CAPN1 (0.72) CAPN1CTSKMMEECE1
SCHEMBL5484209 0.88 CAPN1 (0.72) CAPN1CTSKMMEECE1
SCHEMBL10967811 0.88 CAPN1 (0.72) CAPN1CTSKMMEECE1
SCHEMBL31397615 0.88 CAPN1 (0.72) CAPN1CTSKMMEECE1
SCHEMBL10789378 0.88 MME (0.62) CASP1CTSKMMEECE1
SCHEMBL8823914 0.87 CAPN1 (0.78) CAPN1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4894464-A ARTIFICIAL SWEETENERS PFIZER INC. (US) 1990-01-16 — — US disclosed
US-4855454-A CHEMICAL INTERMEDIATES; SWEETENERS PFIZER INC. (US) 1989-08-08 — — US disclosed
US-4804782-A ARTIFICIAL SWEETENER PFIZER, INC. (US) 1989-02-14 — — US disclosed
EP-0034876-B1 BRANCHED AMIDES OF L-ASPARTYL-D-AMINO ACID DIPEPTIDES AND COMPOSITIONS THEREOF PFIZER INC. (US) 1984-08-29 — — EP disclosed
US-4411925-A STABLE SWEETENERS PFIZER INC. (US) 1983-10-25 — — US disclosed
EP-0034876-A2 Branched amides of L-aspartyl-D-amino acid dipeptides and compositions thereof PFIZER INC. (US) 1981-09-02 — — EP disclosed
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