SCHEMBL5163853

SCHEMBL5163853

COC(=O)NC(=S)OCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 2/20 0.34
ALOX15 P16050 1/20 0.34
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 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
SCHEMBL5161738 0.90 ALDH1A1 (0.44) ALDH1A1HPGDTSHRSMN1; SMN2HSD17B10
SCHEMBL5161710 0.85 ALDH1A1 (0.41) ALDH1A1HPGDTSHRSMN1; SMN2HSD17B10
SCHEMBL5159893 0.81 SMN1; SMN2 (0.42) ALDH1A1HPGDTSHRSMN1; SMN2HSD17B10
SCHEMBL5162972 0.79 NPC1 (0.42) ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL20711254 0.78 ALDH1A1 (0.42) ALDH1A1HPGDTSHRSMN1; SMN2KDM4E
SCHEMBL8967103 0.77 EPHX1 (0.51)
SCHEMBL10565069 0.76 ALDH1A1 (0.55) ALDH1A1HPGDTSHRMAPTLMNA
SCHEMBL7411217 0.73 SMN1; SMN2 (0.48) ALDH1A1TSHRSMN1; SMN2HSD17B10KDM4E
SCHEMBL5161708 0.73 EPHX1 (0.47) TSHR
SCHEMBL6136733 0.73

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
EP-1556170-B1 PROCESS FOR THE BENEFICIATION OF SULFIDE MINERALS CYTEC TECH CORP (US) 2007-03-14 EP disclosed