SCHEMBL9768017

SCHEMBL9768017

[CH2]C=CC(CC)(c1ccccc1)c1ccc(OC#CC)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.33
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9767970 0.81 KCNN4 (0.38) KDM4EALDH1A1
SCHEMBL9767929 0.75 ALDH1A1 (0.47) ALDH1A1
SCHEMBL237878 0.68 CA4 (0.43) MMP1
SCHEMBL9767862 0.68 KCNN4 (0.35) KDM4EALDH1A1SMN1; SMN2
SCHEMBL9767832 0.67 KIF11 (0.45) ALDH1A1
SCHEMBL28620636 0.65 CYP1A2 (0.48) MMP1KDM4EALDH1A1
SCHEMBL9713642 0.65 LTA4H (0.52) SMN1; SMN2
SCHEMBL28774415 0.64 ALDH1A1 (0.46) MMP1ALDH1A1
SCHEMBL1148767 0.63 KCNN4 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL20994141 0.61 MMP1 (0.41) MMP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5022914-A Pre- and post-emergence; broad leaf plants; rice BASF AKTIENGESELLSCHAFT (DE) 1991-06-11 US disclosed