SCHEMBL9638448

SCHEMBL9638448

CCC(S)C(C(C)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 2/20 0.34
MME P08473 2/20 0.34
ACE P12821 2/20 0.34
CPA1 P15085 2/20 0.34
ACE2 Q9BYF1 2/20 0.34
TDP1 Q9NUW8 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
ABCB11 O95342 1/20 0.33
F2 P00734 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
LMNA P02545 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
SCHEMBL9637603 0.82 CHRM1 (0.44) RNPEPTDP1MAPTCA2MAPK1
SCHEMBL9637645 0.79 CA2 (0.45) ACE2TDP1MAPTCA2MAPK1
SCHEMBL9637742 0.77 GPR84 (0.47) ACE2MAPTCA2MAPK1SLC1A2
SCHEMBL9638470 0.76 GPR84 (0.50) ACE2MAPTCA2SLC1A2SLC1A1
SCHEMBL2367602 0.73 ALDH1A1 (0.41) RNPEPMMEACECPA1ACE2
SCHEMBL7770762 0.73 TDP1 (0.39) TDP1ALDH1A1CA2MAPK1CHRM1
SCHEMBL8882964 0.73 ALDH1A1 (0.41) RNPEPMMEACECPA1ACE2
SCHEMBL10573309 0.73 SLC1A3 (0.31) TDP1CA2MAPK1CHRM1AKR1A1
SCHEMBL4862797 0.73 FFAR3 (0.43) TDP1HPGDHSD17B10KDM4EMAPT
SCHEMBL9637727 0.72 RNPEP (0.39) RNPEPACETDP1HPGDHSD17B10

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-0367508-B1 MERCAPTOALKYL ACETOACETATES, USE THEREOF AND A PROCESS FOR THE PREPARATION OF MERCAPTOALKYL ACETOACETATES ROHM AND HAAS COMPANY (US) 1992-07-22 EP claimed
EP-0367508-A1 Mercaptoalkyl acetoacetates, use thereof and a process for the preparation of mercaptoalkyl acetoacetates ROHM AND HAAS COMPANY (US) 1990-05-09 EP claimed