SCHEMBL18528533

SCHEMBL18528533

Cc1cc(C(=O)O)oc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 3/20 0.46
APEX1 P27695 2/20 0.41
DAO P14920 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
PIM1 P11309 3/20 0.34
CSNK2A1 P68400 3/20 0.34
CSNK2A2 P19784 2/20 0.34
CSNK2B P67870 2/20 0.34
CSNK2A3 Q8NEV1 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL21981937 0.74 KMT2A (0.52) KMT2AKDM4EAPEX1DAOHCAR2
SCHEMBL700764 0.74 APEX1 (0.55) KMT2AKDM4EAPEX1DAOHCAR2
SCHEMBL6626531 0.73
SCHEMBL28227106 0.73 KDM4E (0.39) KMT2AKDM4EDAOALDH1A1HPGD
SCHEMBL28443819 0.72 KMT2A (0.57) KMT2AKDM4EAPEX1DAOHCAR2
SCHEMBL528110 0.72
SCHEMBL14619933 0.71 KMT2A (0.48) KMT2AKDM4EAPEX1DAOHCAR2
SCHEMBL4379207 0.71 KDM4E (0.48) KMT2AKDM4EAPEX1DAOHCAR2
SCHEMBL20582083 0.71 KMT2A (0.48) KMT2AKDM4EAPEX1DAOHCAR2
SCHEMBL19406488 0.69 APEX1 (0.39) KMT2AKDM4EAPEX1DAOALDH1A1

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
US-10087161-B2 Synthesis of FDCA and FDCA precursors from gluconic acid derivatives SYNTHETIC GENOMICS, INC. (US) 2018-10-02 US disclosed
US-20170050944-A1 SYNTHESIS OF FDCA AND FDCA PRECURSORS FROM GLUCONIC ACID DERIVATIVES VIRIDOS, INC. 2017-02-23 US disclosed
WO-2017030668-A1 SYNTHESIS OF FDCA AND FDCA PRECURSORS FROM GLUCONIC ACID DERIVATIVES SYNTHETIC GENOMICS, INC. (US) 2017-02-23 WO disclosed