SCHEMBL7370797

SCHEMBL7370797

COC(=O)CCC(C)N=C=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
SLC1A1 P43005 1/20 0.39
HSD17B10 Q99714 2/20 0.37
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL11168393 0.87 TSHR (0.47) TSHRKMT2AMEN1LMNAALDH1A1
SCHEMBL14406993 0.80 TSHR (0.37) TSHRKMT2AMEN1HSD17B10CA12
SCHEMBL7962672 0.79 TSHR (0.52) TSHRKMT2AMEN1SLC1A1HSD17B10
SCHEMBL14497727 0.78 TSHR (0.41) TSHRKMT2AMEN1SLC1A1HSD17B10
SCHEMBL29022284 0.78 GABRP (0.46) SLC1A1LMNAMAPT
SCHEMBL28195468 0.78 TSHR (0.50) TSHRKMT2AMEN1SLC1A1HSD17B10
SCHEMBL11759743 0.76 TSHR (0.36) TSHRALDH1A1
SCHEMBL7064658 0.74 TSHR (0.50) TSHRKMT2AMEN1SLC1A1HSD17B10
SCHEMBL1109751 0.73 TRPA1 (0.32) TSHR
SCHEMBL2865042 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815139-B1 THROMBIN INHIBITORS BASED ON THE AMINO ACID SEQUENCE OF HIRUDIN CA NAT RESEARCH COUNCIL (CA) 2001-11-07 EP disclosed
US-6060451-A CARDIOVASCULAR DISORDERS, ANTICARCINOGENIC, ANTIMETASTASIS, AND ANTITUMOR AGENTS THE NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2000-05-09 US disclosed
EP-0815139-A1 THROMBIN INHIBITORS BASED ON THE AMINO ACID SEQUENCE OF HIRUDIN NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1998-01-07 EP disclosed
EP-0536177-B1 THROMBIN INHIBITORS BASED ON THE AMINO ACID SEQUENCE OF HIRUDIN CA NAT RESEARCH COUNCIL (CA) 1997-11-19 EP disclosed
WO-1996030407-A1 BIFUNCTIONAL THROMBIN INHIBITORS BEARING HIGHLY TRUNCATED FIBRINOGEN RECOGNITION EXOSITE BINDING COMPONENT NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1996-10-03 WO disclosed
WO-1996029347-A1 THROMBIN INHIBITORS BASED ON THE AMINO ACID SEQUENCE OF HIRUDIN NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1996-09-26 WO disclosed
EP-0536177-A1 THROMBIN INHIBITORS BASED ON THE AMINO ACID SEQUENCE OF HIRUDIN MAJESTY (HER) IN RIGHT OF CANADA as represented by THE NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1993-04-14 EP disclosed
WO-1991019734-A2 THROMBIN INHIBITORS BASED ON THE AMINO ACID SEQUENCE OF HIRUDIN MAJESTY (HER) IN RIGHT OF CANADA AS REPRESENTED BY THE NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1991-12-26 WO disclosed
US-4393215-A Cleavage of dialkoxyketoxime ALLIED CORPORATION (US) 1983-07-12 US disclosed