SCHEMBL11200749

SCHEMBL11200749

CCC(C)C(Br)C(=O)OCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.52
ACE P12821 2/20 0.52
CPA1 P15085 2/20 0.52
ACE2 Q9BYF1 2/20 0.52
MMP1 P03956 2/20 0.49
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP12 P39900 1/20 0.48
CETP P11597 1/20 0.48
PTGES O14684 1/20 0.47
FFAR1 O14842 8/20 0.47
TDP1 Q9NUW8 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
L3MBTL1 Q9Y468 1/20 0.47
FFAR4 Q5NUL3 2/20 0.46
PTGS1 P23219 1/20 0.44

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
SCHEMBL11121766 0.88 MMP1 (0.52) MMEACECPA1ACE2MMP1
SCHEMBL11195495 0.86 MMP1 (0.52) MMEACECPA1ACE2MMP1
SCHEMBL10795614 0.83 MMP1 (0.54) MMEACECPA1ACE2MMP1
SCHEMBL22066497 0.83 MMP1 (0.56) MMP1MMP2MMP9MMP12CETP
SCHEMBL11197089 0.81 MMP1 (0.50) MMP1MMP2MMP9MMP12CETP
SCHEMBL11204618 0.80 MMP1 (0.51) MMP1MMP2MMP9MMP12CETP
SCHEMBL11198604 0.80 MMP1 (0.51) MMP1MMP2MMP9MMP12CETP
SCHEMBL10956792 0.80 MMP1 (0.54) MMEACECPA1ACE2MMP1
SCHEMBL11202053 0.79 CETP (0.56) MMEACECPA1ACE2MMP1
SCHEMBL11214943 0.78 MMP1 (0.47) MMEACECPA1ACE2MMP1

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