SCHEMBL10044872

SCHEMBL10044872

CC(=O)[C@H](O)CCC(=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.41
KDM4A O75164 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM2A Q9Y2K7 2/20 0.41
TET3 O43151 1/20 0.41
OR51E2 Q9H255 2/20 0.40
MAPK1 P28482 1/20 0.40
SLC13A3 Q8WWT9 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
GPR84 Q9NQS5 3/20 0.31
FFAR1 O14842 1/20 0.31
CA1 P00915 2/20 0.31
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 0.30

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
SCHEMBL10044876 0.80 TET2 (0.64) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL11457936 0.80 TET2 (0.64) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL65536 0.80 TET2 (0.64) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL19633036 0.80 TET2 (0.64) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL10308721 0.77 ALDH1A1 (0.47) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL17378384 0.76 TET2 (0.35) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL11346087 0.75 ALDH1A1 (0.48) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL8470732 0.75 SMN1; SMN2 (0.36) TET2TET3OR51E2
SCHEMBL14262191 0.74 OR51E2 (0.48) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL234798 0.72 CA1 (0.59) OR51E2MAPK1SLC13A3EGLN1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778645-B2 Method for the production of glutaconate BASF SE (DE) 2014-07-15 US disclosed
US-20120021472-A1 Method for the Production of Glutaconate BASF SE (DE) 2012-01-26 US disclosed