SCHEMBL9656020

SCHEMBL9656020

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

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.62
▸ CASP1 P29466 8/20 0.57
▸ CTSK P43235 3/20 0.56
▸ CTSB P07858 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ CTSL P07711 1/20 0.54
▸ KYNU Q16719 1/20 0.53

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
SCHEMBL11697381 0.91 CASP1 (0.56) CAPN1CASP1CTSKCTSBCTSL
SCHEMBL10453892 0.91 CAPN1 (0.61) CAPN1CASP1CTSK
SCHEMBL28551469 0.89 CAPN1 (0.63) CAPN1CTSKCTSBALDH1A1ALOX15
SCHEMBL17959489 0.89 CAPN1 (0.72) CAPN1CTSKCTSBALDH1A1ALOX15
SCHEMBL30082499 0.89 CAPN1 (0.63) CAPN1CTSKCTSBALDH1A1ALOX15
SCHEMBL17959487 0.89 CAPN1 (0.72) CAPN1CTSKCTSBALDH1A1ALOX15
SCHEMBL13735151 0.89 CAPN1 (0.63) CAPN1CTSKCTSBALDH1A1ALOX15
SCHEMBL10969199 0.89 CAPN1 (0.72) CAPN1CTSKCTSBALDH1A1ALOX15
SCHEMBL21050812 0.89 CAPN1 (0.63) CAPN1CTSKCTSBALDH1A1ALOX15
SCHEMBL13735150 0.89 CAPN1 (0.63) CAPN1CTSKCTSBALDH1A1ALOX15

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
EP-0231087-B1 HEPTANOYL-GLU-ASP-ALA-AMINO ACID IMMUNOSTIMULANTS PFIZER INC. (US) 1992-03-25 — — EP disclosed
US-4851388-A Heptanoyl-glu-asp-ala-amino acid immunostimulants PFIZER INC. (US) 1989-07-25 — — US disclosed
EP-0231087-A2 Heptanoyl-glu-asp-ala-amino acid immunostimulants PFIZER INC. (US) 1987-08-05 — — EP disclosed
WO-1987004440-A1 HEPTANOYL-GLU-ASP-ALA-AMINO ACID IMMUNOSTIMULANTS PFIZER INC. (US) 1987-07-30 — — WO disclosed
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