(2E)-Hexenoic Acid

(2E)-Hexenoic Acid

SCHEMBL28617152

CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)OCC

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.67
MAPT P10636 2/20 0.59
ALDH1A1 P00352 1/20 0.53
TTR P02766 1/20 0.44
DPP4 P27487 1/20 0.44
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
PTPN1 P18031 1/20 0.38

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
(2E)-Hexenoic Acid SCHEMBL451892 1.00 HCAR2 (0.67) HCAR2MAPTALDH1A1TTRDPP4
Ethyl Fumarate SCHEMBL27194590 0.94 HCAR2 (0.77) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL755909 0.94 MAPT (0.66) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL29430520 0.94 MAPT (0.66) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL265418 0.94 MAPT (0.66) HCAR2MAPTALDH1A1TTRDPP4
Ethylene SCHEMBL27926804 0.90 MAPT (0.61) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL6322239 0.89 MAPT (0.66) HCAR2MAPTALDH1A1TTRDPP4
Trimethylammonium SCHEMBL27821912 0.88 MAPT (0.59) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL4582673 0.86 MAPT (0.68) HCAR2MAPTALDH1A1ATMCYP3A4
SCHEMBL4936379 0.86 MAPT (0.73) HCAR2MAPTALDH1A1TTRDPP4

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-113365637-A Compositions and methods for treating liver disorders 维京治疗公司 2021-09-07 CN claimed
CN-113365637-A Compositions and methods for treating liver disorders 维京治疗公司 2021-09-07 CN disclosed