SCHEMBL11652116

SCHEMBL11652116

CC(=O)NCSCC[C]=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
FUCA1 P04066 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL15434561 0.78
SCHEMBL10503374 0.78
SCHEMBL9056681 0.77 TSHR (0.55) TSHRALDH1A1KDM4EMAPK1HIF1A
SCHEMBL4489250 0.76
SCHEMBL8721877 0.74
SCHEMBL10502953 0.72 TSHR (0.64) TSHRALDH1A1KDM4EMAPK1HIF1A
SCHEMBL3496247 0.72 LMNA (0.54) TSHRALDH1A1KDM4EMAPK1HIF1A
SCHEMBL3168163 0.71 TSHR (0.45) TSHRALDH1A1KDM4EMAPK1HIF1A
SCHEMBL15358845 0.70
SCHEMBL7724048 0.70

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-4130554-A ANTISECRETORY, GROWTH INHIBITORS, LOWER BLOOD GLUCOSE MERCK & CO., INC. (US) 1978-12-19 US claimed