SCHEMBL8532256

SCHEMBL8532256

O=C(O)CCC(O)C(=O)c1ccc(CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.44
KDM4A O75164 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
KDM2A Q9Y2K7 2/20 0.44
TET3 O43151 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CPA3 P15088 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MME P08473 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
FFAR1 O14842 1/20 0.35
FOLH1 Q04609 3/20 0.35
MMP12 P39900 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
SCHEMBL8535917 0.82 TET2 (0.50) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL27516611 0.78 L3MBTL1 (0.46) CPA3L3MBTL1ADRB2ADRB1ADRB3
SCHEMBL6666337 0.72 SLC6A2 (0.47) SLC6A2SLC6A3ADRB2ADRB1ADRB3
SCHEMBL8532083 0.72 L3MBTL1 (0.65) HSD17B10L3MBTL1FFAR1MMP12TSHR
SCHEMBL27594603 0.70 PTGS1 (0.43) ADRB3FFAR1TSHRALDH1A1CYP1A2
SCHEMBL19341769 0.70 SLC6A2 (0.40) SLC6A2SLC6A3ADRB2ADRB1ADRB3
SCHEMBL11117722 0.70 LMNA (0.69) SLC6A2SLC6A3HSD17B10L3MBTL1TSHR
SCHEMBL28565188 0.70 CA12 (0.50) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL12158530 0.70 SLC6A2 (0.49) SLC6A2SLC6A3ADRB2ADRB1ADRB3
SCHEMBL19829835 0.70 PDPK1 (0.53) SLC6A2SLC6A3ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed