SCHEMBL8988562

SCHEMBL8988562

CC1=CC(=S)C(=O)C(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 7/20 0.34
ELANE P08246 1/20 0.34
KLK5 Q9Y337 6/20 0.34
NR1H2 P55055 1/20 0.33
MAPK1 P28482 1/20 0.33
BUB1 O43683 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
PRSS1 P07477 3/20 0.31
PRSS2 P07478 3/20 0.31
PRSS3 P35030 3/20 0.31
BCHE P06276 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
HPGD P15428 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
SCHEMBL7470171 0.76 NFKB1 (0.34) MAPK1KDM4E
SCHEMBL34473806 0.71 KLK7 (0.36) KLK7ELANEKLK5NR1H2MAPK1
SCHEMBL31750269 0.71 KLK7 (0.36) KLK7ELANEKLK5NR1H2MAPK1
SCHEMBL13409204 0.70 USP2 (0.40) KLK7NR1H2MAPK1KDM4EMAPT
SCHEMBL27635233 0.69 MAPK1 (0.43) KLK7ELANEKLK5MAPK1KDM4E
SCHEMBL18593027 0.69 MAPK1 (0.43) KLK7ELANEKLK5MAPK1KDM4E
SCHEMBL22096754 0.69 KLK7 (0.40) KLK7ELANEKLK5MAPK1BUB1
SCHEMBL2836809 0.68 KLK7 (0.34) KLK7KLK5NR1H2KDM4EMAPT
SCHEMBL22336304 0.66 GPR119 (0.37) NR1H2MAPK1BUB1KDM4EMAPT
SCHEMBL13391280 0.65 USP2 (0.36) KLK7KLK5NR1H2KDM4EMAPT

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-5504076-A Cephalosporin compounds PFIZER INC. (US) 1996-04-02 US disclosed