SCHEMBL10835508

SCHEMBL10835508

CCOc1ccc(C(COCc2ccc(F)c(Oc3ccccc3)c2)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
LMNA P02545 2/20 0.37
CACNA1C Q13936 1/20 0.37
FFAR1 O14842 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
LPAR1 Q92633 2/20 0.34
LPAR5 Q9H1C0 2/20 0.34

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
SCHEMBL9558211 0.88 TACR1 (0.36) FFAR1SLC6A2SLC6A4SLC6A3L3MBTL1
SCHEMBL10837299 0.88 MRGPRX4 (0.35) FFAR1MEN1KMT2AMRGPRX4LPAR1
SCHEMBL10837294 0.86 LTA4H (0.42) LTA4HLMNACACNA1CFFAR1SLC6A2
SCHEMBL409992 0.85 LTA4H (0.41) LTA4HLMNACACNA1CFFAR1SLC6A2
SCHEMBL9558968 0.84 FFAR1 (0.52) LTA4HFFAR1ALDH1A1TP53PKM
SCHEMBL10549349 0.83 LTA4H (0.41) LTA4HLMNACACNA1CMEN1KMT2A
SCHEMBL10836181 0.78 LTA4H (0.40) LTA4HLMNACACNA1CFFAR1SLC6A2
SCHEMBL9570783 0.78 CACNA1C (0.42) LTA4HLMNACACNA1CFFAR1SLC6A2
SCHEMBL9570826 0.78 LTA4H (0.38) LTA4HFFAR1ALDH1A1PPARDPPARG
SCHEMBL9558590 0.78 LTA4H (0.43) LTA4HLMNACACNA1CFFAR1SLC6A2

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-4599362-A 2-aryl-ethyl ether derivatives and insecticidal and acaricidal agents containing said derivatives MITSUITOATSU CHEMICALS, INC. (JP) 1986-07-08 US disclosed