SCHEMBL3672169

SCHEMBL3672169

C=C(C)C(=O)C(=O)CC(CC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.42
CPA1 P15085 2/20 0.36
CPB1 P15086 1/20 0.36
CPA3 P15088 1/20 0.36
CPB2 Q96IY4 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TGFBR1 P36897 1/20 0.32
ALOX15 P16050 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL9514344 0.79 FOLH1 (0.48) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL9725558 0.79 FOLH1 (0.48) FOLH1CPA1CPB1CPA3CPB2
Tricarballylic Acid SCHEMBL1821947 0.75 FOLH1 (0.65) FOLH1CPA1CPB1CPA3CPB2
Tricarballylic Acid SCHEMBL34866 0.75 FOLH1 (0.65) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL3892484 0.74 FOLH1 (0.61) FOLH1CPA1TDP1CHRM1AKR1A1
SCHEMBL6652778 0.73 FOLH1 (0.52) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL13398650 0.73 FOLH1 (0.52) FOLH1CPA1CPB1CPA3CPB2
Tricarballylic Acid SCHEMBL2462503 0.72 FOLH1 (0.62) FOLH1CPA1CPB1CPA3CPB2
Tricarballylic Acid SCHEMBL11736211 0.72 FOLH1 (0.62) FOLH1CPA1CPB1CPA3CPB2
Tricarballylic Acid SCHEMBL8329654 0.72 FOLH1 (0.62) FOLH1CPA1CPB1CPA3CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737213-B2 Resin composition for water paint, water paint, and production method for resin composition for water paint DIC CORPORATION (JP) 2010-06-15 US disclosed
US-20080167424-A1 Resin Composition For Water Paint, Water Paint, And Production Method For Resin Composition For Water Paint DAINIPPON INK AND CHEMICALS, INC. (JP) 2008-07-10 US disclosed