SCHEMBL7119567

SCHEMBL7119567

C=CCOC(=O)C(CCSC(C)=O)NC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
PLA2G2C Q5R387 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS2 P35354 1/20 0.31
THPO P40225 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
PPID Q08752 1/20 0.30
TSHR P16473 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALDH1A1 P00352 2/20 0.30
CASP1 P29466 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
SCHEMBL7119570 1.00 SMN1; SMN2 (0.35) SMN1; SMN2TDP1PLA2G2CMAPTKDM4E
SCHEMBL6692535 0.89 MAPT (0.35) SMN1; SMN2TDP1PLA2G2CMAPTPPID
SCHEMBL7117253 0.85 SMN1; SMN2 (0.41) SMN1; SMN2TDP1MAPTKDM4ETHRB
SCHEMBL7117245 0.85 SMN1; SMN2 (0.41) SMN1; SMN2TDP1MAPTKDM4ETHRB
SCHEMBL14930732 0.79 L3MBTL1 (0.46) SMN1; SMN2TDP1PLA2G2CMAPTKDM4E
SCHEMBL8628765 0.76 SMN1; SMN2 (0.52) SMN1; SMN2TDP1PLA2G2CMAPTKDM4E
SCHEMBL2791101 0.76 SMN1; SMN2 (0.52) SMN1; SMN2TDP1PLA2G2CMAPTKDM4E
SCHEMBL2791099 0.76 SMN1; SMN2 (0.52) SMN1; SMN2TDP1PLA2G2CMAPTKDM4E
SCHEMBL11234232 0.75 SMN1; SMN2 (0.46) SMN1; SMN2TDP1MAPTKDM4ETHRB
SCHEMBL11234237 0.75 SMN1; SMN2 (0.46) SMN1; SMN2TDP1MAPTKDM4ETHRB

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-6808716-B2 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2004-10-26 US claimed
WO-2004089329-A2 TOPICAL COMPOSITIONS COMPRISING N-ACETYLAMINO ACIDS OR RELATED N-ACETYL COMPOUNDS YU RUEY J (US) 2004-10-21 WO claimed
US-20030198656-A1 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2003-10-23 US claimed
US-6808716-B2 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2004-10-26 US disclosed
US-20030229141-A1 N-acetyl cysteine and its topical use YU RUEY J (US) 2003-12-11 US disclosed
US-20030198656-A1 N-acetylamino acids, related N-acetyl compounds and their topical use YU RUEY J (US) 2003-10-23 US disclosed