SCHEMBL25036613

SCHEMBL25036613

Cc1cccc(-c2sc(C(=O)OC(C)(C)C)c(OCC(=O)OC(C)(C)C)c2Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.36
GRM6 O15303 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK14 Q16539 2/20 0.34
ACLY P53396 1/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RPA1 P27694 1/20 0.33
CNR1 P21554 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL30274041 0.90 PTPN1 (0.46) PTPN1GRM6ACLYMAPTLMNA
SCHEMBL25034776 0.89 PTPN1 (0.47) PTPN1GRM6ACLYMAPTLMNA
SCHEMBL30273615 0.89 PTPN1 (0.47) PTPN1GRM6ACLYMAPTLMNA
SCHEMBL25034892 0.86 PTPN1 (0.35) PTPN1GRM6ACLYMAPTLMNA
SCHEMBL30274011 0.84 PTPN1 (0.43) PTPN1GRM6KMT2AMAPTLMNA
SCHEMBL25036178 0.83 PTPN1 (0.44) PTPN1GRM6GAAKMT2AMAPT
SCHEMBL30273913 0.83 PTPN1 (0.44) PTPN1GRM6GAAKMT2AMAPT
SCHEMBL30273918 0.83 PTPN1 (0.44) PTPN1GRM6GAAKMT2AMAPT
SCHEMBL25036186 0.83 PTPN1 (0.45) PTPN1GRM6GAAKMT2AMAPK14
SCHEMBL30274194 0.83 PTPN1 (0.45) PTPN1GRM6GAAKMT2AMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023019166-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS CALICO LIFE SCIENCES LLC (US) 2023-02-16 WO disclosed