SCHEMBL8948019

SCHEMBL8948019

CCCCCCC(C)C=CC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.43
GPR84 Q9NQS5 7/20 0.42
CA1 P00915 2/20 0.42
FFAR1 O14842 1/20 0.42
ZDHHC7 Q9NXF8 1/20 0.42
MAPT P10636 1/20 0.41
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
FAAH O00519 1/20 0.40
CA2 P00918 1/20 0.40
PPARG P37231 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
SCHEMBL8948016 1.00 ACE2 (0.43) ACE2GPR84CA1FFAR1ZDHHC7
SCHEMBL8948043 0.98 CA1 (0.44) ACE2GPR84CA1FFAR1ZDHHC7
SCHEMBL8948047 0.98 CA1 (0.44) ACE2GPR84CA1FFAR1ZDHHC7
SCHEMBL8948270 0.92 ACHE (0.42) ACE2CA1MAPTCA2
SCHEMBL8948267 0.92 ACHE (0.42) ACE2CA1MAPTCA2
SCHEMBL29177079 0.85 ACHE (0.47) ACE2GPR84CA1FFAR1MAPT
SCHEMBL5666704 0.84 CHRM1 (0.36) CA1
SCHEMBL814572 0.84 CHRM1 (0.36) CA1
SCHEMBL809574 0.84 CHRM1 (0.36) CA1
SCHEMBL11598836 0.83 MAPT (0.42) ACE2GPR84CA1FFAR1ZDHHC7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484949-A Method for the synthesis of α β-unsaturated ketones NIPPON SODA CO., LTD. (JP) 1996-01-16 US disclosed
EP-0454867-A1 A METHOD FOR THE SYNTHESIS OF -g(a), -g(b)-UNSATURATED KETONES. NIPPON SODA CO (JP) 1991-11-06 EP disclosed
WO-1991007370-A1 A METHOD FOR THE SYNTHESIS OF α, β-UNSATURATED KETONES NIPPON SODA CO., LTD. (JP) 1991-05-30 WO disclosed