SCHEMBL11200640

SCHEMBL11200640

O=C(OCc1cccc(Oc2ccccc2)c1)C(Cl)CCCCl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.49
FFAR1 O14842 7/20 0.48
FFAR4 Q5NUL3 2/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP12 P39900 1/20 0.48
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
CETP P11597 1/20 0.46
FDFT1 P37268 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 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
SCHEMBL7969600 0.85 ALDH1A1 (0.51) TDP1LMNAL3MBTL1
SCHEMBL7973137 0.81 ALDH1A1 (0.50) TDP1LMNAL3MBTL1
SCHEMBL11198160 0.81 MMP1 (0.50) MMP1FFAR1FFAR4MMP2MMP9
SCHEMBL11200353 0.78 MMP1 (0.52) MMP1FFAR1FFAR4MMP2MMP9
SCHEMBL22066497 0.77 MMP1 (0.56) MMP1FFAR1FFAR4MMP2MMP9
SCHEMBL7066136 0.76 ALDH1A1 (0.55) TDP1LMNAL3MBTL1
SCHEMBL11828537 0.76 PPARG (0.52) FFAR1FFAR4FDFT1PPARGPPARA
SCHEMBL7976235 0.75 TDP1 (0.42) TDP1ATML3MBTL1PPARGPPARA
SCHEMBL10795614 0.75 MMP1 (0.54) MMP1FFAR1FFAR4MMP2MMP9
Hydrochloric Acid SCHEMBL6877150 0.75 FFAR1 (0.51) MMP1FFAR1FFAR4MMP2MMP9

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