SCHEMBL28830010

SCHEMBL28830010

CCCC(=O)CC(=O)CC(=O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 2/20 0.63
CES2 O00748 5/20 0.43
CES1 P23141 5/20 0.43
HDAC3 O15379 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
FFAR3 O14843 3/20 0.42
HDAC6 Q9UBN7 1/20 0.37
CTSD P07339 1/20 0.36
EGLN1 Q9GZT9 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC13A3 Q8WWT9 1/20 0.35
OR51E2 Q9H255 1/20 0.35
KDM4E B2RXH2 1/20 0.34
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 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
SCHEMBL247453 0.95 HAO1 (0.68) HAO1CES2CES1HDAC3HDAC1
SCHEMBL7798107 0.93 HAO1 (0.65) HAO1CES2CES1HDAC3HDAC1
SCHEMBL5667473 0.84 CES2 (0.50) HAO1CES2CES1HDAC3HDAC1
SCHEMBL1701664 0.82 CES2 (0.53) HAO1CES2CES1HDAC3HDAC1
SCHEMBL285014 0.81 HAO1 (0.83) HAO1CES2CES1TSHROR51E2
SCHEMBL22750315 0.80 HDAC3 (0.52) HAO1CES2CES1HDAC3HDAC1
SCHEMBL1318842 0.80 HDAC3 (0.52) HAO1CES2CES1HDAC3HDAC1
SCHEMBL1194076 0.79 HAO1 (0.96) HAO1CES2CES1TSHROR51E2
SCHEMBL7796552 0.79 HAO1 (0.80) HAO1CES2CES1TSHROR51E2
SCHEMBL3126473 0.79 CES2 (0.50) HAO1CES2CES1HDAC3HDAC1

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
CN-106119113-A For producing the biology of 1,3 butanediols 基因组股份公司 2016-11-16 CN disclosed
CN-102625846-B Organisms for the production of 1, 3-butanediol 基因组股份公司 2016-08-03 CN disclosed