SCHEMBL10347459

SCHEMBL10347459

CCCC(OC)C(=O)O.CCCCC(OC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.47
MAPK1 P28482 1/20 0.47
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
CA1 P00915 1/20 0.42
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
PPARG P37231 5/20 0.40
PPARA Q07869 4/20 0.40
SLC1A3 P43003 1/20 0.40

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
SCHEMBL26940441 0.96 CA2 (0.50) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL192696 0.96 CA2 (0.50) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL10304982 0.91
SCHEMBL25516 0.91
SCHEMBL10305019 0.91
Cyclohexane SCHEMBL8125771 0.90 CA2 (0.45) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL2137285 0.89 GPR84 (0.52) CA2MAPK1CA1GPR84FFAR1
Butyl Alcohol SCHEMBL271874 0.88 CHRM1 (0.45) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL3858716 0.88 GPR84 (0.55) CA2CA1GPR84FFAR1MAPT
SCHEMBL8570324 0.88 GPR84 (0.55) CA2CA1GPR84FFAR1MAPT

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-0184127-B1 CELLULOSIC PASTE AND ITS USE IN THE PREPARATION OF AQUEOUS COATING DISPERSIONS Wolff Walsrode Aktiengesellschaft (DE) 1990-04-04 EP disclosed
EP-0184127-A2 Cellulosic paste and its use in the preparation of aqueous coating dispersions Wolff Walsrode Aktiengesellschaft (DE) 1986-06-11 EP disclosed