SCHEMBL11200353

SCHEMBL11200353

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP12 P39900 1/20 0.51
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 1/20 0.49
ADRA2A P08913 1/20 0.49
CNR1 P21554 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FFAR1 O14842 6/20 0.48
FFAR4 Q5NUL3 2/20 0.48
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
CETP P11597 1/20 0.45
PTGES O14684 1/20 0.44
MITF O75030 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 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
SCHEMBL11195495 0.86 MMP1 (0.52) MMP1MMP2MMP9MMP12TDP1
SCHEMBL11197089 0.84 MMP1 (0.50) MMP1MMP2MMP9MMP12TDP1
SCHEMBL11202053 0.82 CETP (0.56) MMP1MMP2MMP9MMP12TDP1
SCHEMBL11121766 0.81 MMP1 (0.52) MMP1MMP2MMP9MMP12TDP1
SCHEMBL22066497 0.80 MMP1 (0.56) MMP1MMP2MMP9MMP12TDP1
SCHEMBL11204618 0.80 MMP1 (0.51) MMP1MMP2MMP9MMP12TDP1
SCHEMBL11198604 0.80 MMP1 (0.51) MMP1MMP2MMP9MMP12TDP1
SCHEMBL11200640 0.78 MMP1 (0.49) MMP1MMP2MMP9MMP12TDP1
SCHEMBL11200749 0.78 MME (0.52) MMP1MMP2MMP9MMP12TDP1
SCHEMBL10795614 0.78 MMP1 (0.54) MMP1MMP2MMP9MMP12TDP1

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