SCHEMBL28069094

SCHEMBL28069094

CC(=CCCNO)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD81 P60033 2/20 0.41
PPARG P37231 1/20 0.33
BACE1 P56817 1/20 0.32
CYP2C9 P11712 1/20 0.31
PTGS1 P23219 1/20 0.30
AKR1C3 P42330 1/20 0.30
TBXAS1 P24557 1/20 0.30

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
SCHEMBL4497690 0.87 CD81 (0.39) CD81PPARGBACE1TBXAS1
SCHEMBL337281 0.82 CD81 (0.38) CD81PPARGBACE1CYP2C9PTGS1
SCHEMBL637565 0.82 CD81 (0.38) CD81PPARGBACE1CYP2C9PTGS1
SCHEMBL5025472 0.80 KDM4E (0.44) CD81PPARGCYP2C9
SCHEMBL5708567 0.80 CD81 (0.37) CD81PPARGBACE1CYP2C9
Hydrochloric Acid SCHEMBL9844191 0.80 CD81 (0.37) CD81PPARGBACE1CYP2C9PTGS1
SCHEMBL1765494 0.80 CD81 (0.44) CD81PPARGBACE1CYP2C9PTGS1
SCHEMBL129059 0.80 CD81 (0.44) CD81PPARGBACE1CYP2C9PTGS1
SCHEMBL8735321 0.78 ADH1B (0.39) CD81PPARGBACE1
SCHEMBL7779001 0.78 CD81 (0.36) CD81PPARGBACE1TBXAS1

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-105764924-A Modified anti-epidermal growth factor receptor antibodies and methods of use thereof 哈洛齐梅公司 2016-07-13 CN disclosed