SCHEMBL7976100

SCHEMBL7976100

Cc1ccc(S(=O)(=O)OCCCCC(OS(=O)(=O)c2ccc(C)cc2)C(=O)Oc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 1/20 0.37
ALDH1A1 P00352 1/20 0.37
STAT3 P40763 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGES O14684 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
PSMD10 O75832 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FKBP1A P62942 1/20 0.36
LMNA P02545 1/20 0.35
DHODH Q02127 1/20 0.35
RECQL P46063 1/20 0.34

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
SCHEMBL7976225 0.97 TDP1 (0.39) CYP24A1ALDH1A1STAT3HTTSMN1; SMN2
SCHEMBL7060903 0.92 HTT (0.39) ALDH1A1STAT3HTTSMN1; SMN2PTGES
SCHEMBL7959874 0.92 MAPT (0.39) SMN1; SMN2PTGESTDP1
SCHEMBL7973159 0.88 MAPT (0.39) SMN1; SMN2PTGESTDP1
SCHEMBL7969820 0.86 LMNA (0.46) FKBP1ALMNA
SCHEMBL7975853 0.85 PSMD10 (0.43) ALDH1A1STAT3GAAKMT2APSMD10
SCHEMBL7976224 0.85 KMT2A (0.42) ALDH1A1STAT3SMN1; SMN2GAAKMT2A
SCHEMBL7973259 0.85 FKBP1A (0.43) CYP24A1ALDH1A1PTGESGAAKMT2A
SCHEMBL7065836 0.83 MAPT (0.41) SMN1; SMN2PTGESTDP1
SCHEMBL7973483 0.83 PSMD10 (0.37) CYP24A1ALDH1A1STAT3KMT2APSMD10

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
US-6172234-B1 Optically active cyclic amino acid ester derivatives and processes for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-09 US disclosed
EP-0976729-A1 Optically active cyclic amino acid ester derivatives and processes for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-02 EP disclosed