SCHEMBL11085232

SCHEMBL11085232

CSCCC(NC(C)=O)C(=O)Oc1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
CASP1 P29466 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PPID Q08752 2/20 0.53
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
BCL2 P10415 2/20 0.43
DRD1 P21728 1/20 0.43
BID P55957 1/20 0.43
MCL1 Q07820 1/20 0.43
BCL2L2 Q92843 1/20 0.43
BCL2L10 Q9HD36 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL11085230 1.00 GAA (0.53) GAACASP1KDM4EALDH1A1GLA
SCHEMBL18211946 0.88 GAA (0.54) GAACASP1KDM4EALDH1A1GLA
Sumacetamol SCHEMBL5185790 0.86 GAA (0.55) GAACASP1KDM4EALDH1A1GLA
Sumacetamol SCHEMBL1134071 0.86 GAA (0.55) GAACASP1KDM4EALDH1A1GLA
SCHEMBL11079312 0.83 MAPT (0.50) GAACASP1KDM4EALDH1A1GLA
SCHEMBL11079306 0.83 MAPT (0.50) GAACASP1KDM4EALDH1A1GLA
SCHEMBL8773289 0.76 ALDH1A1 (0.40) GAACASP1KDM4EALDH1A1GLA
SCHEMBL1133867 0.76 HSD17B10 (0.49) GAACASP1KDM4EALDH1A1GLA
SCHEMBL13637924 0.75 KMT2A (0.51) GAACASP1KDM4EALDH1A1GLA
SCHEMBL12229229 0.75 LMNA (0.46) GAACASP1KDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4482495-A CHEMICAL INTERMEDIATES FOR ANALGESICS STERLING DRUG INC. (US) 1984-11-13 US disclosed
US-4405800-A ANALGESICS STERLING DRUG INC. (US) 1983-09-20 US disclosed
US-4361703-A ANALGESICS STERLING DRUG INC. (US) 1982-11-30 US disclosed
US-4181719-A Analgesic N-acetyl-para-aminophenyl N'-acetylaminothioalkanoates STERLING DRUG INC. (US) 1980-01-01 US disclosed