SCHEMBL27656177

SCHEMBL27656177

CCCCC(CCC(=O)O)C(=O)O.[Zn]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ FOLH1 Q04609 11/20 0.62
▸ CHRM1 P11229 1/20 0.54
▸ AKR1A1 P14550 1/20 0.54
▸ CHRM3 P20309 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ HRH1 P35367 1/20 0.54
▸ DRD3 P35462 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ SLC1A2 P43004 2/20 0.53
▸ SLC1A1 P43005 2/20 0.53
▸ SLC1A3 P43003 1/20 0.53
▸ AKR1B1 P15121 1/20 0.48
▸ GRIK1 P39086 1/20 0.47

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
SCHEMBL3446776 0.98 CA2 (0.65) CA2MAPK1FOLH1CHRM1AKR1A1
SCHEMBL27995377 0.92 FOLH1 (0.65) CA2MAPK1FOLH1CHRM1AKR1A1
Ethylene Glycol SCHEMBL9066129 0.92 CA2 (0.59) CA2MAPK1FOLH1CHRM1AKR1A1
SCHEMBL8653950 0.92 FOLH1 (0.66) CA2MAPK1FOLH1CHRM1AKR1A1
SCHEMBL337293 0.90 FOLH1 (0.67) FOLH1TDP1GRIK1GRIK2
SCHEMBL3619652 0.90 FOLH1 (0.67) FOLH1TDP1GRIK1GRIK2
SCHEMBL1506904 0.90 FOLH1 (0.67) FOLH1TDP1GRIK1GRIK2
SCHEMBL5596670 0.90 FOLH1 (0.67) FOLH1TDP1GRIK1GRIK2
SCHEMBL1506893 0.90 FOLH1 (0.67) FOLH1TDP1GRIK1GRIK2
SCHEMBL1134777 0.90 FOLH1 (0.67) FOLH1TDP1GRIK1GRIK2

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-1966563-A Beta crystal form polypropylene nucleating agent and polypropylene resin composition containing same UNIV EAST CHINA SCIENCE & TECH (CN) 2007-05-23 — — CN disclosed
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