SCHEMBL4987528

SCHEMBL4987528

O=C(O)C(O)CC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.76
KDM4E B2RXH2 3/20 0.62
MAPT P10636 3/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
POLB P06746 2/20 0.62
APAF1 O14727 1/20 0.62
RECQL P46063 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 1/20 0.62
MPO P05164 1/20 0.62
TSHR P16473 1/20 0.62
BLM P54132 1/20 0.62
PMP22 Q01453 1/20 0.62
HIF1A Q16665 1/20 0.62
DNMT1 P26358 3/20 0.54
CYP2C19 P33261 1/20 0.53
DNMT3B Q9UBC3 1/20 0.53
PKM P14618 1/20 0.53
ALOX15 P16050 1/20 0.52

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
SCHEMBL7855506 0.88 SMN1; SMN2 (0.74) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL30912052 0.87 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL29361050 0.87 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL29556806 0.87 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL891879 0.87 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL578606 0.87 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL1362995 0.87 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL4628875 0.85 KDM4E (0.77) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL13762546 0.85 KDM4E (0.77) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL14458882 0.85 KDM4E (0.77) SMN1; SMN2KDM4EMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994161-A2 ALDOLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM CARGILL, INCORPORATED (US) 2008-11-26 EP disclosed
WO-2007103389-A9 ALDOLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM CARGILL INC (US) 2007-11-01 WO disclosed
WO-2007103389-A2 ALDOLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM CARGILL, INCORPORATED (US) 2007-09-13 WO disclosed