SCHEMBL3816807

SCHEMBL3816807

NC1C2CC3CC(C2)CC1(CCC(=O)O)C3

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
EPHX2 P34913 4/20 0.36
ALOX5 P09917 1/20 0.36
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 4/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
ALOX15 P16050 1/20 0.33
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
HSD11B2 P80365 1/20 0.31

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
SCHEMBL1862283 0.78 KDM4E (0.44) HSD11B1KDM4EHTTEPHX2ALOX5
SCHEMBL3022337 0.78 KDM4E (0.39) HSD11B1KDM4EHTTEPHX2ALOX5
SCHEMBL28144676 0.75 ALDH1A1 (0.39) HSD11B1HTTTHRBCYP2C9HSD17B10
SCHEMBL1323193 0.71 EPHX2 (0.48) KDM4EHTTEPHX2ALDH1A1POLB
SCHEMBL6858927 0.71 EPHX2 (0.48) KDM4EHTTEPHX2ALDH1A1POLB
SCHEMBL18411712 0.71 HSD11B1 (0.46) HSD11B1KDM4EHTTEPHX2ALDH1A1
SCHEMBL19862489 0.70 GRIN2D (0.35) THRBPOLBTSHR
SCHEMBL8975677 0.70 GRIN2D (0.34) THRBPOLBTSHR
Glycolic Acid SCHEMBL10893363 0.69 THRB (0.38) HSD11B1KDM4EHTTEPHX2THRB
SCHEMBL13585395 0.69 KDM1A (0.43) HSD11B1EPHX2ALDH1A1TSHR

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-2061886-A1 SMALL CATIONIC ANTIMICROBIAL PEPTIDES The University of British Columbia (CA) 2009-05-27 EP disclosed
WO-2008022444-A1 SMALL CATIONIC ANTIMICROBIAL PEPTIDES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2008-02-28 WO disclosed
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US disclosed
US-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 US disclosed
EP-0073143-B1 NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES Ryan, James Walter (US) 1985-11-21 EP disclosed
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 EP disclosed