SCHEMBL8714482

SCHEMBL8714482

CCN(CC)[C@@H](CCSC)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.48
FOLH1 Q04609 2/20 0.38
LMNA P02545 2/20 0.34
ALDH1A1 P00352 3/20 0.33
USP2 O75604 2/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL20813969 0.84 NOD1 (0.43) RNPEPFOLH1TP53
SCHEMBL28616559 0.83 HTR2A (0.40) MAPK1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL17772984 0.82 RNPEP (0.47) RNPEPFOLH1LMNAALDH1A1USP2
SCHEMBL28090080 0.82 RNPEP (0.50) RNPEPFOLH1LMNAALDH1A1FNTA
SCHEMBL9082541 0.81 LMNA (0.43) LMNAALDH1A1HTR2AHRH1FNTA
SCHEMBL23222806 0.79 RNPEP (0.44) RNPEPFOLH1LMNAALDH1A1USP2
SCHEMBL2872370 0.79 RNPEP (0.52) RNPEPFOLH1LMNAALDH1A1USP2
SCHEMBL197985 0.79 RNPEP (0.52) RNPEPFOLH1LMNAALDH1A1USP2
SCHEMBL197984 0.79 RNPEP (0.52) RNPEPFOLH1LMNAALDH1A1USP2
SCHEMBL2872371 0.79 RNPEP (0.52) RNPEPFOLH1LMNAALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770209-B Novel 5-hydroxypyridine compounds useful as P2X1 and P2X3 receptor antagonists and pharmaceutical compositions containing the same 光州科学技术院 2023-06-30 CN disclosed
US-5744678-A NICKEL COMPOUND, ORGANOPHOSPHORUS COMPOUND, ORGANOALUMINUM COMPOUND, CARBON-HALOGEN COMPOUNDS; CATALYST SELECTIVITY NIPPON OIL CO., LTD. (JP) 1998-04-28 US disclosed
EP-0758563-A1 OLEFIN OLIGOMERIZATION CATALYST AND PROCESS FOR THE PREPARATION OF OLEFIN OLIGOMER USING IT NIPPON OIL COMPANY, LTD. (JP) 1997-02-19 EP disclosed