SCHEMBL2419876

SCHEMBL2419876

CCC(C(=O)O)C(O)(C(=O)O)C(CC)(CC(=O)OC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HSPD1 P10809 1/20 0.31
BLM P54132 1/20 0.31
HSPE1 P61604 1/20 0.31

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
SCHEMBL30016968 0.84 HSPD1 (0.34) MEN1HPGDRECQLKMT2AHSD17B10
SCHEMBL15353035 0.84 HSPD1 (0.34) MEN1HPGDRECQLKMT2AHSD17B10
SCHEMBL30195 0.84 HSPD1 (0.34) MEN1HPGDRECQLKMT2AHSD17B10
SCHEMBL2416735 0.82 HPGD (0.39) MEN1HPGDRECQLKMT2AHSD17B10
Acetic Acid SCHEMBL9632118 0.80 HSPD1 (0.33) HSPD1BLMHSPE1
Succinic Acid Diethyl Ester SCHEMBL31582560 0.78 CYP1A2 (0.34) MEN1HPGDRECQLKMT2AHSD17B10
Citric Acid SCHEMBL4250310 0.77 ALDH1A1 (0.47) MEN1KMT2ALMNAHSPD1BLM
SCHEMBL2426682 0.76 KMT2A (0.56) MEN1HPGDRECQLKMT2AHSD17B10
SCHEMBL30999628 0.76 HSPD1 (0.50) MEN1HPGDRECQLKMT2AHSD17B10
SCHEMBL6302812 0.76 HSPD1 (0.37) HSPD1BLMHSPE1

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-1491523-B1 ESTER COMPOUND, PLASTICIZER FOR BIODEGRADABLE ALIPHATIC POLYESTER RESIN, AND BIODEGRADABLE RESIN COMPOSITION DAIHACHI CHEM IND (JP) 2011-09-14 EP claimed