SCHEMBL8147756

SCHEMBL8147756

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.52
TDP1 Q9NUW8 2/20 0.43
CPA1 P15085 2/20 0.43
CPB1 P15086 1/20 0.43
CPA3 P15088 1/20 0.43
CPB2 Q96IY4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.39
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
SLC1A1 P43005 1/20 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
SCHEMBL11581323 0.88 FOLH1 (0.46) FOLH1TDP1CPA1CPB1CPA3
SCHEMBL11852176 0.86 FOLH1 (0.45) FOLH1TDP1CPA1CPB1CPA3
SCHEMBL12228349 0.82 SLC1A1 (0.40) FOLH1TDP1CPA1CPB1CPA3
SCHEMBL11032771 0.80 FOLH1 (0.48) FOLH1TDP1CPA1CPB1CPA3
SCHEMBL4864369 0.80 FOLH1 (0.48) FOLH1TDP1CPA1CPB1CPA3
SCHEMBL11032783 0.80 FOLH1 (0.48) FOLH1TDP1CPA1CPB1CPA3
Tricarballylic Acid SCHEMBL1821947 0.80 FOLH1 (0.65) FOLH1TDP1CPA1CPB1CPA3
Tricarballylic Acid SCHEMBL34866 0.80 FOLH1 (0.65) FOLH1TDP1CPA1CPB1CPA3
SCHEMBL2399127 0.80 FOLH1 (0.39) FOLH1TDP1CPA1CPB1CPA3
SCHEMBL12228339 0.78 FOLH1 (0.38) FOLH1TDP1CPA1CPB1CPA3

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
JP-2000063620-A CURABLE RESIN COMPOSITION DAINIPPON INK & CHEM INC 2000-02-29 JP disclosed