SCHEMBL28170751

SCHEMBL28170751

CCCO[PH](=O)Oc1ccccc1.[Zn]

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.35
KCNA3 P22001 1/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA7 P36544 2/20 0.34
CHRNA4 P43681 2/20 0.34
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL9550960 0.98 LTA4H (0.40) LTA4HKMT2AMEN1LMNAALDH1A1
SCHEMBL9550970 0.87 LTA4H (0.50) LTA4HL3MBTL1
SCHEMBL3820583 0.86 LTA4H (0.50) LTA4HLMNAALDH1A1KCNA3
Hexane SCHEMBL11818647 0.86 LTA4H (0.50) LTA4HLMNAALDH1A1L3MBTL1
SCHEMBL23212140 0.84 LTA4H (0.49) LTA4HLMNAALDH1A1
SCHEMBL8420381 0.84 LTA4H (0.49) LTA4HLMNAALDH1A1
SCHEMBL9602743 0.84 LTA4H (0.49) LTA4HLMNAALDH1A1
SCHEMBL9603013 0.84 LTA4H (0.49) LTA4HLMNAALDH1A1
SCHEMBL2400567 0.84 LTA4H (0.49) LTA4HLMNAALDH1A1
SCHEMBL27777417 0.84 LTA4H (0.49) LTA4HLMNAALDH1A1

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
CN-107075097-A Catalyst composition for polyester production process 科莱恩塑料和涂料有限公司 2017-08-18 CN disclosed