SCHEMBL11701200

SCHEMBL11701200

N#CC=Cc1ccc2c(c1)COO2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ ENPP2 Q13822 1/20 0.37
▸ FDPS P14324 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ ATM Q13315 1/20 0.30

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
SCHEMBL3691054 0.78 CYP3A4 (0.51) KDM4EALDH1A1CYP3A4ATM
SCHEMBL3691057 0.78 CYP3A4 (0.51) KDM4EALDH1A1CYP3A4ATM
SCHEMBL11693672 0.77 RELA (0.43) —
SCHEMBL11694805 0.75 XDH (0.43) KDM4EALDH1A1CYP3A4ATM
SCHEMBL2453905 0.74 CYP3A4 (0.46) KDM4EALDH1A1CYP3A4ATM
SCHEMBL11700989 0.74 ALDH1A1 (0.37) ALDH1A1
SCHEMBL3579764 0.73 KDM4E (0.56) KDM4EALDH1A1GAAESR1CYP3A4
SCHEMBL11859595 0.72 IAPP (0.49) KDM4EFDPSALDH1A1GAA
SCHEMBL11693842 0.72 KDM4E (0.60) KDM4EFDPSALDH1A1GAACYP3A4
SCHEMBL4822421 0.71 CYP3A4 (0.61) KDM4EALDH1A1GAACYP3A4ATM

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-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 — — US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 — — US disclosed
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