SCHEMBL11225929

SCHEMBL11225929

C=CC(=O)Oc1ccc(-c2ccc(OC(=O)C=C)cc2O)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.47
ALDH5A1 P51649 1/20 0.36
ABAT P80404 1/20 0.36
CYP3A4 P08684 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 4/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TRIM24 O15164 1/20 0.35
TYR P14679 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
EGFR P00533 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL21170004 0.88 THRB (0.47) THRBCYP3A4NPC1RAB9AMEN1
SCHEMBL28474667 0.86 ALOX5 (0.50) THRBNPC1RAB9AMEN1MAPT
SCHEMBL28476797 0.83 THRB (0.44) THRBCYP3A4NPC1RAB9AMEN1
SCHEMBL8512513 0.83 NPC1 (0.58) THRBCYP3A4NPC1RAB9AMEN1
SCHEMBL10694878 0.83 THRB (0.47) THRBCYP3A4NPC1RAB9AMEN1
SCHEMBL31169459 0.83 NPC1 (0.58) THRBCYP3A4NPC1RAB9AMEN1
SCHEMBL28475721 0.83 THRB (0.44) THRBALDH5A1ABATCYP3A4NPC1
SCHEMBL819722 0.83 THRB (0.53) THRBCYP3A4NPC1RAB9AMEN1
SCHEMBL68673 0.82 KMT2A (0.50) THRBCYP3A4NPC1RAB9AMEN1
SCHEMBL15338917 0.82 THRB (0.46) THRBCYP3A4MEN1MAPTKMT2A

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-4366171-A Fungicidal biphenyl esters, mixtures thereof and method of use GAF CORPORATION (US) 1982-12-28 US disclosed