SCHEMBL10784233

SCHEMBL10784233

CC(CBr)C(=O)O.CCCCCBr

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.50
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
GPR84 Q9NQS5 3/20 0.41
CA1 P00915 2/20 0.41
FFAR1 O14842 2/20 0.41
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.38
AKR1B1 P15121 1/20 0.38
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL348640 0.82
SCHEMBL4427437 0.82
SCHEMBL1684074 0.82
Hydrogen Sulfide SCHEMBL5437546 0.79
Bromide SCHEMBL1671440 0.79
Bicarbonate SCHEMBL29119274 0.79 AKR1B1 (0.50) LCKPPARDZDHHC20ZDHHC2GPR84
SCHEMBL3340031 0.79
SCHEMBL4277465 0.78 ACE2 (0.50) ACE2LCKPPARDZDHHC20ZDHHC2
Bicarbonate SCHEMBL6600597 0.77 PPARD (0.52) LCKPPARDZDHHC20ZDHHC2GPR84
Bicarbonate SCHEMBL11125790 0.77 PPARD (0.52) LCKPPARDZDHHC20ZDHHC2GPR84

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
US-4638082-A Method of producing the p-chlorophenol ester of p-chlorophenoxyisobutyric acid SOCIETE CORIAL, S.A. (FR) 1987-01-20 US claimed