SCHEMBL8628765

SCHEMBL8628765

C=CCOC(=O)[C@@H](CS)NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
PTGS2 P35354 1/20 0.52
THPO P40225 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
ACE P12821 1/20 0.33
CYP3A4 P08684 1/20 0.33
CASP1 P29466 2/20 0.32
PLA2G2C Q5R387 1/20 0.32
TACR1 P25103 1/20 0.31

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
SCHEMBL2791101 1.00 SMN1; SMN2 (0.52) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL2791099 1.00 SMN1; SMN2 (0.52) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL10975759 0.84 CASP1 (0.44) SMN1; SMN2ALDH1A1CASP1
SCHEMBL10976689 0.84 CASP1 (0.44) SMN1; SMN2ALDH1A1CASP1
SCHEMBL9759966 0.80 MAPT (0.37) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL28968948 0.80 SMN1; SMN2 (0.57) SMN1; SMN2MAPT
SCHEMBL28968951 0.80 SMN1; SMN2 (0.57) SMN1; SMN2MAPT
SCHEMBL15722123 0.80 SMN1; SMN2 (0.57) SMN1; SMN2MAPT
SCHEMBL7117245 0.79 SMN1; SMN2 (0.41) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL7117253 0.79 SMN1; SMN2 (0.41) SMN1; SMN2MAPTKDM4ETHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728373-A EXHIBITING DEEP SKIN PENETRATION BEIERSDORF AG (DE) 1998-03-17 US claimed
EP-0656774-B1 COSMETIC AND DERMATOLOGICAL SUNSCREEN COMPOSITIONS CONTAINING THIOLS AND/OR THIOL DERIVATES BEIERSDORF AG (DE) 1997-01-22 EP claimed
EP-0035188-B1 2-PENEM COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND METHODS FOR THEIR PREPARATION SCHERING CORPORATION (US) 1985-04-17 EP disclosed
US-4448782-A BACTERICIDES SCHERING CORPORATION (US) 1984-05-15 US disclosed
US-4382949-A 2-(Amino acid-thio)-1-carbapen-2-em-3-carboxylic acids and congeners SCHERING CORPORATION (US) 1983-05-10 US disclosed
EP-0035188-A1 2-Penem compounds, pharmaceutical compositions containing them and methods for their preparation SCHERING CORPORATION (US) 1981-09-09 EP disclosed