SCHEMBL11278006

SCHEMBL11278006

C[C@H](CSC(=S)c1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.50
REN P00797 4/20 0.50
KDM4E B2RXH2 1/20 0.50
F2 P00734 1/20 0.50
LMNA P02545 1/20 0.50
LTA4H P09960 1/20 0.50
MAPT P10636 1/20 0.50
PEPD P12955 1/20 0.50
ALOX15 P16050 1/20 0.50
PTGS1 P23219 1/20 0.50
HTR2A P28223 1/20 0.50
PTGS2 P35354 1/20 0.50
HRH1 P35367 1/20 0.50
THPO P40225 1/20 0.50
PMP22 Q01453 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
THRB P10828 1/20 0.46
ALOX12 P18054 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL11278002 1.00 ACE (0.50) ACERENKDM4EF2LMNA
SCHEMBL11275762 0.90 ACE (0.56) ACERENKDM4EF2LMNA
SCHEMBL11275765 0.90 ACE (0.56) ACERENKDM4EF2LMNA
SCHEMBL11264783 0.79 ACE (0.48) ACERENKDM4EF2LMNA
SCHEMBL11264792 0.79 ACE (0.48) ACERENKDM4EF2LMNA
SCHEMBL11282262 0.79 ACE (0.62) ACERENKDM4EF2LMNA
SCHEMBL11282259 0.79 ACE (0.62) ACERENKDM4EF2LMNA
SCHEMBL10508293 0.79 ACE (0.62) ACERENKDM4EF2LMNA
SCHEMBL7378528 0.79 ACE (0.62) ACERENKDM4EF2LMNA
SCHEMBL10954711 0.79 ACE (0.62) ACERENKDM4EF2LMNA

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-4331806-A Dithioacyldihydropyrazole carboxylic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1982-05-25 US disclosed
US-4288368-A Dithioacylproline derivatives E. R. SQUIBB & SONS, INC. (US) 1981-09-08 US disclosed