SCHEMBL11201138

SCHEMBL11201138

CC(C)C(=O)C(=O)OCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

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
PTGES O14684 1/20 0.51
FFAR1 O14842 9/20 0.50
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 1/20 0.50
ADRA2A P08913 1/20 0.50
CNR1 P21554 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FFAR4 Q5NUL3 2/20 0.49
CETP P11597 1/20 0.49
PTGS1 P23219 1/20 0.48

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
SCHEMBL22066497 0.87 MMP1 (0.56) MMP1MMP2MMP9MMP12PTGES
SCHEMBL306311 0.83 ALDH1A1 (0.58) TDP1LMNAATML3MBTL1
SCHEMBL10887508 0.82 MMP1 (0.54) MMP1MMP2MMP9MMP12PTGES
SCHEMBL2966035 0.81 ALDH1A1 (0.66) MMP1MMP2MMP9MMP12PTGES
SCHEMBL11121766 0.80 MMP1 (0.52) MMP1MMP2MMP9MMP12PTGES
Hydrochloric Acid SCHEMBL9340358 0.79 MMP1 (0.48) MMP1MMP2MMP9MMP12PTGES
SCHEMBL10795614 0.79 MMP1 (0.54) MMP1MMP2MMP9MMP12PTGES
SCHEMBL11192400 0.78 PTGS1 (0.52) MMP1MMP2MMP9MMP12PTGES
SCHEMBL11714224 0.78 PPARG (0.51) MMP1MMP2MMP9MMP12PTGES
SCHEMBL29729966 0.78 MMP1 (0.56) MMP1MMP2MMP9MMP12PTGES

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
US-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 US disclosed