SCHEMBL3154387

SCHEMBL3154387

CCOC(=O)N1CCC(=COS(C)(=O)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
GRM5 P41594 6/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6428985 0.81 TSHR (0.47) GAAGRM5CYP1A2CYP3A4HTT
SCHEMBL9256295 0.74 GRM5 (0.48) GAAGRM5CYP1A2CYP3A4HTT
SCHEMBL1713222 0.73 TSHR (0.57) GAAHTTL3MBTL1TSHRMEN1
SCHEMBL4419406 0.72 GRM5 (0.58) GAAGRM5CYP1A2CYP3A4HTT
SCHEMBL158497 0.71 TSHR (0.55) GAAHTTL3MBTL1TSHRMEN1
SCHEMBL11072823 0.71 TSHR (0.55) GAAHTTL3MBTL1TSHRMEN1
SCHEMBL1684895 0.70
SCHEMBL10985089 0.70 ALDH1A1 (0.72) GAAHTTL3MBTL1TSHRMEN1
Hydrochloric Acid SCHEMBL27776511 0.70 TSHR (0.53) GAAHTTL3MBTL1TSHRMEN1
SCHEMBL12994041 0.70 TSHR (0.53) GAACYP1A2HTTTSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1449529-B1 Protein Kinase C Inhibitors LILLY CO ELI (US) 2010-01-27 EP disclosed
EP-1449529-A1 Protein Kinase C Inhibitors ELI LILLY AND COMPANY (US) 2004-08-25 EP disclosed
EP-0817627-A1 PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1998-01-14 EP disclosed
US-5672618-A TREATING DIABETIC COMPLICATIONS ELI LILLY AND COMPANY (US) 1997-09-30 US disclosed
US-5668152-A BIS/INDOLE/-SUBSTITUTED MALEIMIDES, ANTIDIABETIC AGENTS ELI LILLY AND COMPANY (US) 1997-09-16 US disclosed
US-5661173-A ADMINISTERING AN ENZYME INHIBITOR TREATING DIABETES ELI LILLY AND COMPANY (US) 1997-08-26 US disclosed
US-5545636-A TREATING DIABETES MELLITUS ELI LILLY AND COMPANY (US) 1996-08-13 US disclosed
WO-1995017182-A1 PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1995-06-29 WO disclosed