SCHEMBL8950271

SCHEMBL8950271

COC(=O)C1=Cc2ccsc2S(=O)(=O)N1CCCCO

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.34
CYP4F2 P78329 2/20 0.34
POLB P06746 1/20 0.33
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8950389 0.79 PTGER4 (0.34) POLBLMNA
SCHEMBL8950506 0.72 GAA (0.31) L3MBTL1
SCHEMBL8950361 0.71 LMNA (0.38) POLBKMT2ALMNAL3MBTL1
SCHEMBL8950076 0.68 FEN1 (0.46) KMT2ALMNAL3MBTL1
SCHEMBL8950426 0.64 TSHR (0.39) POLBKMT2ALMNA
SCHEMBL9058138 0.60 CSNK2A2 (0.32)
SCHEMBL8950606 0.59 CA2 (0.36) KMT2ALMNAL3MBTL1
SCHEMBL20487250 0.59 MEN1 (0.39) POLBKMT2AL3MBTL1
1,4-Butanediol SCHEMBL2722579 0.58 CYP4A11 (0.79) CYP4A11CYP4F2POLBKMT2AL3MBTL1
SCHEMBL7514655 0.58 CA12 (0.39) KMT2ALMNA

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
US-5538966-A ENZYME INHIBITORS FOR TREATMENT OF GLAUCOMA ALCON LABORATORIES, INC. (US) 1996-07-23 US disclosed