SCHEMBL27778665

SCHEMBL27778665

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ FOLH1 Q04609 4/20 0.45
▸ GRIK1 P39086 5/20 0.39
▸ GRIK2 Q13002 5/20 0.39
▸ CPA1 P15085 2/20 0.38
▸ CPB1 P15086 1/20 0.38
▸ CPA3 P15088 1/20 0.38
▸ CPB2 Q96IY4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SLC22A6 Q4U2R8 1/20 0.33
▸ PAM P19021 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
SCHEMBL801200 0.81 GRIK1 (0.59) ALDH1A1ALOX15FOLH1GRIK1GRIK2
SCHEMBL14385493 0.81 GRIK1 (0.59) ALDH1A1ALOX15FOLH1GRIK1GRIK2
SCHEMBL13351667 0.78 GRIK1 (0.58) FOLH1GRIK1GRIK2CPA1CPB1
SCHEMBL8815418 0.78 FOLH1 (0.45) FOLH1GRIK1GRIK2CPA1CPB1
SCHEMBL40728 0.78 GRIK1 (0.58) FOLH1GRIK1GRIK2CPA1CPB1
SCHEMBL12501647 0.78 GRIK1 (0.58) FOLH1GRIK1GRIK2CPA1CPB1
SCHEMBL8674432 0.78 FOLH1 (0.41) FOLH1GRIK1GRIK2CPA1CPB1
SCHEMBL12231028 0.78 GRIK1 (0.43) ALOX15FOLH1GRIK1GRIK2TDP1
SCHEMBL8674430 0.78 FOLH1 (0.41) FOLH1GRIK1GRIK2CPA1CPB1
Ammonia Solution, Strong SCHEMBL29207433 0.76 FOLH1 (0.39) FOLH1GRIK1GRIK2CPA1CPB1

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-101542370-A Fine particle dispersion liquid NATOCO CO LTD (JP) 2009-09-23 — — CN disclosed
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