SCHEMBL11730596

SCHEMBL11730596

COC(=O)COCC#CC=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 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
SCHEMBL11730729 0.80 TSHR (0.31) TSHR
SCHEMBL11727365 0.79 TSHR (0.33) TSHRHSD17B10MGAMGAASI
SCHEMBL4379120 0.78 TSHR (0.36) TSHRLMNAHSD17B10MGAMGAA
SCHEMBL4373441 0.76 TSHR (0.37) TSHRLMNAHSD17B10MGAMGAA
SCHEMBL11307490 0.76 TSHR (0.37) TSHRLMNAHSD17B10MGAMGAA
SCHEMBL11656664 0.74 TSHR (0.36) TSHRLMNAHSD17B10MGAMGAA
SCHEMBL5248290 0.73 TSHR (0.34) TSHRHSD17B10MGAMGAASI
Hydrochloric Acid SCHEMBL11658513 0.73 KDM4E (0.38) TSHRLMNAHSD17B10MGAMGAA
SCHEMBL8892122 0.73
SCHEMBL17694763 0.71

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-4022794-A VASODILATION MERCK & CO., INC. (US) 1977-05-10 US disclosed