SCHEMBL6274122

SCHEMBL6274122

O=C(O)C=Cc1ccccc1CO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 10/20 0.63
PTGER2 P43116 9/20 0.63
PTGER4 P35408 7/20 0.63
EGFR P00533 1/20 0.62
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
NFKB1 P19838 1/20 0.58
CA4 P22748 1/20 0.58
PTGDR Q13258 5/20 0.56
TBXA2R P21731 4/20 0.56
PTGFR P43088 3/20 0.56
PTGER1 P34995 3/20 0.55
PTGIR P43119 2/20 0.55
TBXAS1 P24557 1/20 0.52
HDAC3 O15379 1/20 0.50
TNKS O95271 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50

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
SCHEMBL6274118 1.00 PTGER3 (0.63) PTGER3PTGER2PTGER4EGFRCA1
SCHEMBL22070625 0.85 PTGER3 (0.59) PTGER3PTGER2PTGER4EGFRCA1
SCHEMBL1150939 0.85 PTGER3 (0.63) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL3214322 0.85 PTGER3 (0.63) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL309761 0.85 PTGER3 (0.63) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL3183044 0.84 MAPT (0.55) PTGER3PTGER2PTGER4NFKB1MAPT
SCHEMBL3183029 0.84 MAPT (0.55) PTGER3PTGER2PTGER4NFKB1MAPT
SCHEMBL9049925 0.83 RXRA (0.51) PTGER3PTGER2PTGER4EGFRCA1
SCHEMBL9049927 0.83 RXRA (0.51) PTGER3PTGER2PTGER4EGFRCA1
SCHEMBL3557041 0.83 PTGER3 (0.61) PTGER3PTGER2PTGER4EGFRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2005027552-A NEW METHOD FOR PRODUCING OPTICALLY ACTIVE 2-HYDROXYMETHYL-3-ARYLPROPIONIC ACID MITSUBISHI CHEMICALS CORP 2005-02-03 JP disclosed
EP-0003461-B1 AMINOALCOHOL DERIVATIVES OF ORTHO-HYDROXY-METHYL CINNAMATE, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1981-04-29 EP disclosed
EP-0003461-A1 Aminoalcohol derivatives of ortho-hydroxy-methyl cinnamate, process for their preparation and medicines containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1979-08-08 EP disclosed