SCHEMBL7204462

SCHEMBL7204462

CCOC(=O)C1CCSC(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
MAPT P10636 2/20 0.37
CTH P32929 1/20 0.37
LMNA P02545 1/20 0.36
USP2 O75604 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34

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
SCHEMBL6087635 0.83 CTH (0.49) ALDH1A1MAPTCTHKDM4EHPGD
SCHEMBL2549787 0.83 CTH (0.49) ALDH1A1MAPTCTHKDM4EHPGD
SCHEMBL13439527 0.81 KMT2A (0.49) ALDH1A1CTHUSP2KMT2AGAA
SCHEMBL815103 0.75 LMNA (0.58) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL80480 0.75 LMNA (0.58) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL905284 0.75 LMNA (0.58) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL8429877 0.74 CTH (0.43) ALDH1A1MAPTCTHLMNAKDM4E
Hydrochloric Acid SCHEMBL29400035 0.73 LMNA (0.57) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL1765185 0.73 PPM1B (0.38) ALDH1A1MAPTLMNAKDM4EMEN1
SCHEMBL15265428 0.72 LMNA (0.49) ALDH1A1MAPTLMNAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6284219-B1 ADMINISTERING LABELLED TRACER PROBE, SPECIFICALLY DESIGNED SUBSTRATE OF GATEWAY ENZYME, TO MAMMALIAN SUBJECT, MEASURING LABELLED PRODUCT OF ENZYME ACTION TO DETERMINE EXTENT OF CONVERSION PHENOME SCIENCES INC. 2001-09-04 US claimed
US-6610270-B1 Determining the rate of substrate-product conversion for gateway enzymes important to therapy management, using labelled metaprobes XANTHUS LIFE SCIENCES, INC. 2003-08-26 US disclosed
US-6284219-B1 ADMINISTERING LABELLED TRACER PROBE, SPECIFICALLY DESIGNED SUBSTRATE OF GATEWAY ENZYME, TO MAMMALIAN SUBJECT, MEASURING LABELLED PRODUCT OF ENZYME ACTION TO DETERMINE EXTENT OF CONVERSION PHENOME SCIENCES INC. 2001-09-04 US disclosed