Alanine

Alanine

SCHEMBL7446206

CC(=O)Br.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O.C[C@H](N)C(=O)O.NN(CC(=O)O)C(=O)O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.48
CTSS P25774 4/20 0.48
CTSB P07858 4/20 0.48
CTSK P43235 3/20 0.48
ECE1 P42892 2/20 0.46
MME P08473 1/20 0.46
CASP3 P42574 3/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
CA1 P00915 1/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
CASP6 P55212 2/20 0.42
CASP8 Q14790 2/20 0.42
CASP9 P55211 1/20 0.42
ELANE P08246 2/20 0.41
PRTN3 P24158 1/20 0.41

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
Alanine SCHEMBL7439688 0.94 CTSL (0.48) CTSLCTSSCTSBCTSKECE1
Alanine SCHEMBL7450269 0.85 ECE1 (0.45) CTSLCTSSCTSBCTSKECE1
Alanine SCHEMBL5485711 0.85 CTSL (0.58) CTSLCTSSCTSBCTSKECE1
Aspartic Acid SCHEMBL9069992 0.85 CASP3 (0.50) CTSLCTSSCTSBCTSKECE1
Alanine SCHEMBL7445326 0.83 CTSL (0.41) CTSLCTSSCTSBCTSKECE1
Aspartic Acid SCHEMBL7309528 0.82 CASP3 (0.52) CTSLCTSSCTSBCTSKECE1
Isopropylamine SCHEMBL10558459 0.81 CTSL (0.59) CTSLCTSSCTSBCTSKECE1
SCHEMBL220569 0.80 CTSL (0.63) CTSLCTSSCTSBCTSKECE1
SCHEMBL1287168 0.80 CTSL (0.63) CTSLCTSSCTSBCTSKECE1
SCHEMBL8671882 0.80 CTSL (0.63) CTSLCTSSCTSBCTSKECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767661-A4 AZAASPARTIC ACID ANALOGS AS INTERLEUKIN-1 BETA CONVERTING ENZYME INHIBITORS SANOFI WINTHROP INC (US) 1998-06-10 EP claimed
EP-0767661-A1 AZAASPARTIC ACID ANALOGS AS INTERLEUKIN-1 BETA CONVERTING ENZYME INHIBITORS SANOFI WINTHROP, INC. (US) 1997-04-16 EP claimed
WO-1996003982-A1 AZAASPARTIC ACID ANALOGS AS INTERLEUKIN-1 BETA CONVERTING ENZYME INHIBITORS SANOFI WINTHROP, INC. (US) 1996-02-15 WO claimed
EP-0767661-A4 AZAASPARTIC ACID ANALOGS AS INTERLEUKIN-1 BETA CONVERTING ENZYME INHIBITORS SANOFI WINTHROP INC (US) 1998-06-10 EP disclosed
EP-0767661-A1 AZAASPARTIC ACID ANALOGS AS INTERLEUKIN-1 BETA CONVERTING ENZYME INHIBITORS SANOFI WINTHROP, INC. (US) 1997-04-16 EP disclosed
US-5565430-A Azaaspartic acid analogs as interleukin-1β converting enzyme inhibitors STERLING WINTHROP INC. (US) 1996-10-15 US disclosed
WO-1996003982-A1 AZAASPARTIC ACID ANALOGS AS INTERLEUKIN-1 BETA CONVERTING ENZYME INHIBITORS SANOFI WINTHROP, INC. (US) 1996-02-15 WO disclosed