SCHEMBL3873860

SCHEMBL3873860

O=C(O)C(Cc1c[nH]c2ccccc12)CC(NO)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
MAPT P10636 2/20 0.61
APAF1 O14727 1/20 0.61
POLB P06746 1/20 0.61
RECQL P46063 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
ALOX15 P16050 1/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
MPO P05164 1/20 0.58
TSHR P16473 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
KMT2A Q03164 1/20 0.58
HIF1A Q16665 1/20 0.58
ITGB2 P05107 1/20 0.58
ICAM1 P05362 1/20 0.58
ITGAL P20701 1/20 0.58
ACE P12821 3/20 0.57

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
SCHEMBL3873868 1.00 KDM4E (0.61) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL170877 0.88 KDM4E (0.69) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL170878 0.88 KDM4E (0.69) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL991035 0.87 KDM4E (0.68) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL991039 0.87 KDM4E (0.68) KDM4EMAPTAPAF1POLBRECQL
Water SCHEMBL5384989 0.87 KDM4E (0.68) KDM4EMAPTAPAF1POLBRECQL
Water SCHEMBL5384991 0.87 KDM4E (0.68) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL7855506 0.85 SMN1; SMN2 (0.74) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL4987528 0.83 SMN1; SMN2 (0.76) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL13762546 0.82 KDM4E (0.77) KDM4EMAPTAPAF1POLBRECQL

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-1999256-A4 ALDOLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORP (US) 2009-06-03 EP disclosed
EP-1999256-A2 ALDOLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM Verenium Corporation (US) 2008-12-10 EP disclosed
WO-2007103989-A9 ALDOLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORP (US) 2007-11-29 WO disclosed
WO-2007103989-A2 ALDOLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION (US) 2007-09-13 WO disclosed