Alanine

Alanine

SCHEMBL20187918

CC(N)C(=O)O.NCCCO

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.48
GABRR1 P24046 3/20 0.46
RNPEP Q9H4A4 1/20 0.41
SLC7A5 Q01650 2/20 0.41
LTA4H P09960 1/20 0.41
CPB2 Q96IY4 4/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 2/20 0.40
BLM P54132 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GABRR3 A8MPY1 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
HDAC3 O15379 1/20 0.40
GABBR2 O75899 1/20 0.40
CYP1A2 P05177 1/20 0.40
GABRA1 P14867 1/20 0.40
TSHR P16473 1/20 0.40
GABRB1 P18505 1/20 0.40

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 SCHEMBL14157405 1.00 GSR (0.48) GSRGABRR1RNPEPSLC7A5LTA4H
Alanine SCHEMBL12520564 0.90 GSR (0.58) GSRGABRR1RNPEPSLC7A5LTA4H
Alanine SCHEMBL15655229 0.87 GSR (0.56) GSRGABRR1RNPEPSLC7A5CPB2
Alanine SCHEMBL28071526 0.87 GABRR1 (0.52) GSRGABRR1SLC7A5LTA4HGABRP
Alanine SCHEMBL28071528 0.87 GABRR1 (0.52) GSRGABRR1SLC7A5LTA4HGABRP
1,6-Hexanediol SCHEMBL15656018 0.84 GPR84 (0.48) GABRR1SLC7A5LTA4HLMNAKMT2A
1,6-Hexanediol SCHEMBL15656017 0.84 GPR84 (0.48) GABRR1SLC7A5LTA4HLMNAKMT2A
Alanine SCHEMBL20740651 0.84 GABRR1 (0.55) GSRGABRR1SLC7A5LTA4HGABRP
Alanine SCHEMBL15655432 0.83 GAA (0.41) GSRGABRR1RNPEPSLC7A5LTA4H
Alanine SCHEMBL27624409 0.83 GSR (0.46) GSRGABRR1KMT2ATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544635-A2 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES Mersana Therapeutics, Inc. (US) 2019-10-02 EP disclosed
CN-110234357-A Contain peptide linker for antibody-drug conjugates 梅尔莎纳医疗公司 2019-09-13 CN disclosed
WO-2018098269-A2 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. (US) 2018-05-31 WO disclosed