SCHEMBL22726953

SCHEMBL22726953

NCS(=O)(=O)CCC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.70
KMT2A Q03164 4/20 0.42
LMNA P02545 5/20 0.42
GABRR1 P24046 2/20 0.42
THRB P10828 2/20 0.42
BLM P54132 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 2/20 0.42
GABRR3 A8MPY1 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
HDAC3 O15379 1/20 0.42
GABBR2 O75899 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRR2 P28476 1/20 0.42
SLC6A1 P30531 1/20 0.42

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
SCHEMBL4413341 0.83 APEX1 (1.00) APEX1KMT2ALMNANPSR1TSHR
SCHEMBL17072393 0.80 APEX1 (0.71) APEX1KMT2ALMNAGABRR1THRB
SCHEMBL9271184 0.76 APEX1 (0.74) APEX1KMT2ALMNANPSR1TSHR
SCHEMBL7131000 0.76 APEX1 (0.74) APEX1KMT2ALMNATSHRHDAC3
SCHEMBL11696751 0.74 APEX1 (0.79) APEX1KMT2ALMNANPSR1TSHR
Hydrochloric Acid SCHEMBL10583773 0.74 APEX1 (0.70) APEX1KMT2ALMNATSHRHDAC3
SCHEMBL1463490 0.72
SCHEMBL1200576 0.72 APEX1 (0.75) APEX1KMT2ALMNATSHRHDAC3
SCHEMBL11335285 0.72 APEX1 (0.75) APEX1KMT2ALMNANPSR1TSHR
Hydrochloric Acid SCHEMBL10537638 0.70 APEX1 (0.71) APEX1KMT2ALMNABLMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3744729-B1 PEPTIDES, COMPOSITIONS COMPRISING THEM AND COSMETIC AND DERMOPHARMACEUTICAL USES SEDERMA SA (FR) 2023-03-01 EP disclosed
EP-3744729-A1 COMPOUNDS, IN PARTICULAR PEPTIDES, COMPOSITIONS COMPRISING THEM AND COSMETIC AND DERMOPHARMACEUTICAL USES SEDERMA (FR) 2020-12-02 EP disclosed