SCHEMBL16673231

SCHEMBL16673231

C=C(C(=O)OC(C)c1ccccc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.51
HPGD P15428 1/20 0.44
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.39
FFAR1 O14842 1/20 0.39
LPAR1 Q92633 2/20 0.38
LPAR3 Q9UBY5 1/20 0.38
CYP3A4 P08684 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37

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
SCHEMBL8088686 0.85 HCAR2 (0.61) HCAR2LMNAALDH1A1TP53HSD17B10
SCHEMBL10907558 0.84 HCAR2 (0.53) HCAR2HPGDLMNASMN1; SMN2NPSR1
SCHEMBL41864 0.84 HCAR2 (0.53) HCAR2HPGDLMNASMN1; SMN2NPSR1
SCHEMBL16673048 0.83 HCAR2 (0.46) HCAR2HPGDLMNASMN1; SMN2NPSR1
SCHEMBL28007943 0.82 HCAR2 (0.45) HCAR2HPGDLMNASMN1; SMN2NPSR1
SCHEMBL7701591 0.81 HCAR2 (0.58) HCAR2LMNAALDH1A1TP53HSD17B10
SCHEMBL16085915 0.79 HCAR2 (0.56) HCAR2HPGDALDH1A1TP53HSD17B10
SCHEMBL16672445 0.79 HCAR2 (0.49) HCAR2HPGDLMNASMN1; SMN2NPSR1
SCHEMBL10204727 0.79 HCAR2 (0.49) HCAR2HPGDMAPTALDH1A1TP53
SCHEMBL16672728 0.79 HCAR2 (0.49) HCAR2HPGDLMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2869389-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-11-13 EP disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 US disclosed
US-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 US disclosed
EP-2869389-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME Mitsubishi Chemical Corporation (JP) 2015-05-06 EP disclosed