SCHEMBL15329454

SCHEMBL15329454

CCOC(=O)NC=CC(=O)S

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
HCAR2 Q8TDS4 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 2/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SOAT1 P35610 1/20 0.33
RAB9A P51151 1/20 0.33
MDM4 O15151 1/20 0.33
MAPT P10636 1/20 0.33
MDM2 Q00987 1/20 0.33
MIF P14174 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDR P35968 1/20 0.32

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
SCHEMBL5690799 0.85
SCHEMBL4852762 0.83 GAA (0.48) GAAMGAMSIMGAM2HCAR2
SCHEMBL4852756 0.83 GAA (0.48) GAAMGAMSIMGAM2HCAR2
SCHEMBL28613445 0.82 GAA (0.39) GAAMGAMSIMGAM2HCAR2
SCHEMBL132383 0.82 HCAR2 (0.52) GAAMGAMSIMGAM2HCAR2
SCHEMBL19612450 0.80 HCAR2 (0.50) GAAMGAMSIMGAM2HCAR2
Water SCHEMBL8356208 0.80 HCAR2 (0.50) GAAMGAMSIMGAM2HCAR2
Water SCHEMBL4421329 0.80 HCAR2 (0.50) GAAMGAMSIMGAM2HCAR2
SCHEMBL27824036 0.80 HCAR2 (0.46) GAAMGAMSIMGAM2HCAR2
SCHEMBL9681828 0.79 GAA (0.44) GAAMGAMSIMGAM2HCAR2

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
US-20130277890-A1 Dual-Cure Polymer Systems THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2013-10-24 US disclosed