SCHEMBL28008281

SCHEMBL28008281

CCC(OOC(=O)CC(C)C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
LMNA P02545 4/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PPARA Q07869 1/20 0.36
GLA P06280 1/20 0.36
KCNA5 P22460 1/20 0.36
ALKBH1 Q13686 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 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
SCHEMBL28008651 0.89 FFAR1 (0.45) FFAR1LMNAPOLBMEN1KMT2A
SCHEMBL28008235 0.85 LMNA (0.41) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL4313893 0.84 MMP1 (0.43) FFAR1LMNAPOLBMEN1KMT2A
SCHEMBL28008233 0.83 L3MBTL1 (0.41) LMNAPOLBMEN1KMT2AALKBH1
SCHEMBL28008662 0.81 TSHR (0.50) POLBKMT2ATSHRALDH1A1CRHBP
SCHEMBL28008761 0.80 MMP8 (0.37) LMNAPOLBMEN1KMT2AALKBH1
SCHEMBL28008674 0.80 KDM4E (0.49) LMNAPOLBMEN1KMT2AALDH1A1
Bicarbonate SCHEMBL9869148 0.79 LMNA (0.48) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL28008654 0.79 TDP1 (0.50) FFAR1POLBKMT2AALDH1A1
SCHEMBL28818298 0.79 ASAH1 (0.45) LMNAMEN1KMT2AALDH1A1

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
CN-104412441-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-03-11 CN disclosed