SCHEMBL18951930

SCHEMBL18951930

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ GRIK1 P39086 5/20 0.46
▸ GRIK2 Q13002 5/20 0.46
▸ CHRM1 P11229 1/20 0.43
▸ AKR1A1 P14550 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ FFAR1 O14842 1/20 0.36

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
SCHEMBL3271003 1.00 CA2 (0.47) CA2MAPK1GRIK1GRIK2CHRM1
SCHEMBL1771696 0.86 CA2 (0.52) CA2MAPK1CHRM1TDP1FFAR1
SCHEMBL9845962 0.86 CA2 (0.52) CA2MAPK1CHRM1TDP1FFAR1
SCHEMBL1771695 0.86 CA2 (0.52) CA2MAPK1CHRM1TDP1FFAR1
SCHEMBL28586104 0.86 CHRM1 (0.58) CA2MAPK1GRIK1GRIK2CHRM1
SCHEMBL28498553 0.86 CHRM1 (0.58) CA2MAPK1GRIK1GRIK2CHRM1
SCHEMBL28843088 0.85 TERT (0.55) CHRM1TDP1FFAR1FFAR4
SCHEMBL21996277 0.85 TERT (0.55) CHRM1TDP1FFAR1FFAR4
SCHEMBL21996276 0.85 TERT (0.55) CHRM1TDP1FFAR1FFAR4
SCHEMBL12231028 0.84 GRIK1 (0.43) GRIK1GRIK2CHRM1AKR1A1CHRM3

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
EP-3386307-A1 LIQUID-CORE CAPSULES FOR PEST CONTROL Katz Biotech AG (DE) 2018-10-17 — — EP disclosed
WO-2017097282-A1 LIQUID-CORE CAPSULES FOR PEST CONTROL KATZ BIOTECH AG (DE) 2017-06-15 — — WO disclosed
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