SCHEMBL2919132

SCHEMBL2919132

CCC(=O)Oc1c(C)c(C)c(C)c(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
HIF1A Q16665 3/20 0.41
KMT2A Q03164 3/20 0.41
ESR1 P03372 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.38
ELANE P08246 1/20 0.37
GAA P10253 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
GLA P06280 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35

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
SCHEMBL27471045 0.81 ALDH1A1 (0.36) ACHEHIF1AKMT2AESR1SMN1; SMN2
SCHEMBL3950299 0.81 TDP1 (0.35) ACHEKMT2ASMN1; SMN2LMNAHTT
SCHEMBL19543199 0.79 KMT2A (0.37) ACHEHIF1AKMT2AESR1SMN1; SMN2
SCHEMBL7181458 0.78 ACHE (0.49) ACHEHIF1AKMT2AESR1SMN1; SMN2
SCHEMBL29058048 0.76 KMT2A (0.55) ACHEHIF1AKMT2AESR1SMN1; SMN2
SCHEMBL30587343 0.76 KMT2A (0.55) ACHEHIF1AKMT2AESR1SMN1; SMN2
SCHEMBL29808566 0.76 LMNA (0.33) ACHEHIF1AKMT2AESR1SMN1; SMN2
SCHEMBL1401782 0.75 HIF1A (0.41) ACHEHIF1AKMT2AESR1SMN1; SMN2
SCHEMBL2885833 0.73 HIF1A (0.44) ACHEHIF1AKMT2AESR1SMN1; SMN2
SCHEMBL30055541 0.73 HIF1A (0.39) ACHEHIF1AKMT2AESR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226329-B1 Metal-containing platensimycin analogues UNIV RUHR BOCHUM (DE) 2013-07-10 EP disclosed
EP-2226329-A1 Metal-containing platensimycin analogues Ruhr-Universität Bochum (DE) 2010-09-08 EP 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