SCHEMBL9862907

SCHEMBL9862907

N#CCC(=O)OCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.53
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP12 P39900 1/20 0.52
FFAR1 O14842 9/20 0.51
FFAR4 Q5NUL3 4/20 0.49
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
ADRA2A P08913 1/20 0.47
CNR1 P21554 1/20 0.47
ATM Q13315 1/20 0.47
AKR1C3 P42330 1/20 0.46
CETP P11597 1/20 0.46
GNA15 P30679 1/20 0.44
PTGER3 P43115 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
FDFT1 P37268 1/20 0.43

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
SCHEMBL6667358 0.84 MMP1 (0.59) MMP1MMP2MMP9MMP12FFAR1
SCHEMBL187996 0.83 ALDH1A1 (0.61) TDP1L3MBTL1LMNAALDH1A1MAPK1
SCHEMBL1823221 0.82 ALDH1A1 (0.46) MMP1MMP2MMP9MMP12FFAR1
SCHEMBL29729966 0.81 MMP1 (0.56) MMP1MMP2MMP9MMP12FFAR1
SCHEMBL11606203 0.81 MMP1 (0.56) MMP1MMP2MMP9MMP12FFAR1
SCHEMBL1824325 0.80 FAAH (0.41) MMP1MMP2MMP9MMP12
SCHEMBL29961732 0.80 FFAR1 (0.65) MMP1MMP2MMP9MMP12FFAR1
SCHEMBL20481656 0.80 FFAR1 (0.61) MMP1MMP2MMP9MMP12FFAR1
SCHEMBL28893486 0.80 FFAR1 (0.65) MMP1MMP2MMP9MMP12FFAR1
Ethane SCHEMBL11787002 0.80 L3MBTL1 (0.63) MMP1MMP2MMP9MMP12FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4897357-A ASYMMETRIC HYDROLYSIS OF RACEMIC MIXTURE USING MICROORGANISM-PRODUCED ENZYME ETHYL CORPORATION (US) 1990-01-30 US claimed
US-4827013-A (S) α-(cyano-3-phenoxy-benzyl acetate ETHYL CORPORATION (US) 1989-05-02 US claimed
EP-0230599-A1 (S) Alpha-cyano-3-phenoxy benzyl acetate ETHYL CORPORATION (US) 1987-08-05 EP claimed
US-4985365-A WITH AN ESTERASE FROM A MICROORGANISM, ASSYMETRIC HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1991-01-15 US disclosed
US-4897357-A ASYMMETRIC HYDROLYSIS OF RACEMIC MIXTURE USING MICROORGANISM-PRODUCED ENZYME ETHYL CORPORATION (US) 1990-01-30 US disclosed
US-4897357-A ASYMMETRIC HYDROLYSIS OF RACEMIC MIXTURE USING MICROORGANISM-PRODUCED ENZYME ETHYL CORPORATION (US) 1990-01-30 US disclosed
US-4897357-A ASYMMETRIC HYDROLYSIS OF RACEMIC MIXTURE USING MICROORGANISM-PRODUCED ENZYME ETHYL CORPORATION (US) 1990-01-30 US disclosed
US-4827013-A (S) α-(cyano-3-phenoxy-benzyl acetate ETHYL CORPORATION (US) 1989-05-02 US disclosed
US-4827013-A (S) α-(cyano-3-phenoxy-benzyl acetate ETHYL CORPORATION (US) 1989-05-02 US disclosed
US-4800230-A Preparation of alpha-cyano-phenoxybenzyl esters ETHYL CORPORATION (US) 1989-01-24 US disclosed
EP-0080827-B1 METHOD FOR BIOTECHNOLOGICALLY PREPARING (S)-(-)-ALPHA-CYANO-3-PHENOXYBENZYL ALCOHOL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-03-09 EP disclosed
EP-0230599-A1 (S) Alpha-cyano-3-phenoxy benzyl acetate ETHYL CORPORATION (US) 1987-08-05 EP disclosed
EP-0230599-A1 (S) Alpha-cyano-3-phenoxy benzyl acetate ETHYL CORPORATION (US) 1987-08-05 EP disclosed
EP-0230599-A1 (S) Alpha-cyano-3-phenoxy benzyl acetate ETHYL CORPORATION (US) 1987-08-05 EP disclosed
EP-0080827-A2 Method for biotechnologically preparing (S)-(-)-alpha-cyano-3-phenoxybenzyl alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-06-08 EP disclosed
US-4118412-A REACTING A CYANO COMPOUND WITH A CONJUGATED DIENE IN THE PRESENCE OF A REDUCIBLE COPPER SALT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-10-03 US disclosed