SCHEMBL8977763

SCHEMBL8977763

CCCCOC(=O)C1CSC(=S)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 3/20 0.38
PPARG P37231 2/20 0.38
NCOA2 Q15596 2/20 0.38
NCOA1 Q15788 2/20 0.38
HPGD P15428 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
ALPG P10696 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.36
NAAA Q02083 2/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 2/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 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
SCHEMBL8977681 0.94 NAAA (0.42) ALDH1A1PPARGNAAATSHR
SCHEMBL10373138 0.79 KMT2A (0.36) ALDH1A1KMT2A
SCHEMBL10373506 0.77 KMT2A (0.56) ALDH1A1NPSR1HPGDHTTKMT2A
SCHEMBL11037027 0.73 ALDH1A1 (0.42) ALDH1A1HPGDNAAAATMTSHR
SCHEMBL13140459 0.71 CTH (0.45) ALDH1A1KMT2A
SCHEMBL11479076 0.70 NAAA (0.43) ALDH1A1HPGDKMT2ANAAAATM
SCHEMBL813807 0.70 LMNA (0.50) ALDH1A1KMT2ANAAAATMTSHR
SCHEMBL12909848 0.70 LMNA (0.50) ALDH1A1KMT2ANAAAATMTSHR
SCHEMBL6205684 0.70 LMNA (0.50) ALDH1A1KMT2ANAAAATMTSHR
SCHEMBL25590375 0.70 ALDH1A1 (0.39) ALDH1A1HPGDNAAAATMTSHR

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-0378308-B1 Acrylate fungicides AGREVO UK LTD (GB) 1996-04-10 EP disclosed
US-5332752-A Acrylate fungicides SCHERING AGROCHEMICALS LIMITED (GB) 1994-07-26 US disclosed