SCHEMBL11409197

SCHEMBL11409197

CN(C)C(=O)COC(=O)c1[c]cccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
STAT3 P40763 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.37
APEX1 P27695 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
SCHEMBL11413170 0.85 ALDH1A1 (0.46) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL11415723 0.82 TP53 (0.41) SMN1; SMN2KDM4EALDH1A1HPGDTP53
SCHEMBL129333 0.82 TSHR (0.55) GAASMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL11284034 0.81 NLRP3 (0.43) SMN1; SMN2KDM4EALDH1A1GLAUSP2
SCHEMBL6555368 0.81 CHRM1 (0.36) SMN1; SMN2KMT2AALDH1A1HPGDMAPT
SCHEMBL11416672 0.80 CYP3A4 (0.40) GAASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL8673620 0.80 TSHR (0.53) GAASMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL11421822 0.79 ALDH1A1 (0.40) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL11414429 0.79 KDM4E (0.50) GAASMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL3716825 0.76 TDP1 (0.36) KMT2AALDH1A1MAPK1L3MBTL1TDP1

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
US-4214093-A PROTEOLYTIC ENZYME INHIBITORS TORII & CO., LTD. (JP) 1980-07-22 US claimed
US-4214093-A PROTEOLYTIC ENZYME INHIBITORS TORII & CO., LTD. (JP) 1980-07-22 US disclosed