SCHEMBL11307490

SCHEMBL11307490

COC(=O)COCC#CI

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
HSD17B10 Q99714 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
LMNA P02545 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
SCHEMBL4379120 0.82 TSHR (0.36) TSHRHSD17B10MGAMGAASI
SCHEMBL4373441 0.79 TSHR (0.37) TSHRHSD17B10MGAMGAASI
SCHEMBL11656664 0.78 TSHR (0.36) TSHRHSD17B10MGAMGAASI
SCHEMBL11730596 0.76 TSHR (0.34) TSHRHSD17B10MGAMGAASI
Hydrochloric Acid SCHEMBL11658513 0.76 KDM4E (0.38) TSHRHSD17B10MGAMGAASI
SCHEMBL5248290 0.76 TSHR (0.34) TSHRHSD17B10MGAMGAASI
SCHEMBL8892122 0.76
SCHEMBL11059102 0.76
SCHEMBL11727365 0.75 TSHR (0.33) TSHRHSD17B10MGAMGAASI
SCHEMBL17694763 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56043243-A None JP disclosed
JP-S5643243-A IODOPROPARGYL DERIVATIVE, AND ANTIFUNGAL AND PRESERVATIVE AGENT CONTAINING SAID DERIVATIVE AS EFFECTIVE COMPONENT SANKYO CO LTD 1981-04-21 JP disclosed