SCHEMBL11697233

SCHEMBL11697233

CCOCCOc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.69
PLA2G2A P14555 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.50
KCNA3 P22001 1/20 0.50
PPARA Q07869 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL215246 0.92 KCNA3 (0.58) LTA4HL3MBTL1KCNA3SMN1; SMN2CYP1A2
SCHEMBL6558495 0.90 KCNA3 (0.56) LTA4HL3MBTL1KCNA3SMN1; SMN2TDP1
Water SCHEMBL16581630 0.90 KCNA3 (0.56) LTA4HL3MBTL1KCNA3SMN1; SMN2CYP1A2
SCHEMBL6555976 0.90 KCNA3 (0.56) LTA4HL3MBTL1KCNA3SMN1; SMN2TDP1
SCHEMBL11137717 0.90 KCNA3 (0.56) LTA4HL3MBTL1KCNA3SMN1; SMN2TDP1
SCHEMBL30693772 0.90 KCNA3 (0.56) LTA4HL3MBTL1KCNA3SMN1; SMN2TDP1
SCHEMBL8673394 0.88 LTA4H (0.67) LTA4HPLA2G2AKCNA3TDP1PKM
SCHEMBL11694996 0.87 LTA4H (0.72) LTA4HPLA2G2AL3MBTL1KCNA3PPARA
SCHEMBL8683854 0.86 KCNA3 (0.52) LTA4HL3MBTL1KCNA3SMN1; SMN2CYP1A2
SCHEMBL8671305 0.85 LTA4H (0.75) LTA4HPLA2G2AKCNA3PPARAPKM

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-4058627-A INSECTICIDE, MITICIDE CIBA-GEIGY CORPORATION (US) 1977-11-15 US claimed