SCHEMBL13973373

SCHEMBL13973373

COC(=O)c1scc(NC(=O)C2CCC(N)CC2)c1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.46
▸ HTT P42858 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TSHR P16473 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ STK17B O94768 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PRNP P04156 1/20 0.37
▸ MAPK10 P53779 1/20 0.37

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
SCHEMBL13052680 0.81 KDM4E (0.42) KDM4EHTTATMALDH1A1HSD17B10
SCHEMBL10114036 0.79 KDM4E (0.40) KDM4EHTTATMALDH1A1HSD17B10
SCHEMBL13203779 0.79 NPY5R (0.46) KDM4EHTTATMALDH1A1HSD17B10
SCHEMBL10133363 0.79 NPY5R (0.46) KDM4EHTTATMALDH1A1HSD17B10
SCHEMBL13438695 0.79 PTGER4 (0.45) KDM4EHTTALDH1A1HSD17B10MAPT
SCHEMBL11934825 0.79 PTGER4 (0.45) KDM4EHTTALDH1A1HSD17B10MAPT
SCHEMBL13113437 0.71 MAPT (0.47) KDM4EATMALDH1A1HSD17B10MAPT
SCHEMBL2432582 0.68 ALDH1A1 (0.62) HTTALDH1A1MAPTNPSR1HPGD
SCHEMBL2432587 0.68 ALDH1A1 (0.62) HTTALDH1A1MAPTNPSR1HPGD
SCHEMBL10133316 0.67 MAPT (0.44) KDM4EATMALDH1A1HSD17B10MAPT

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
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 — — EP disclosed
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