SCHEMBL14286229

SCHEMBL14286229

CCCCC(O)CC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.57
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
NFKB1 P19838 1/20 0.44
CA2 P00918 3/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 1/20 0.40
TRPV1 Q8NER1 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
SCHEMBL20530457 1.00 GPR84 (0.57) GPR84FFAR1FFAR4NFKB1CA2
SCHEMBL14802263 0.93 GPR84 (0.67) GPR84FFAR1FFAR4NFKB1CA1
SCHEMBL4567252 0.93 GPR84 (0.67) GPR84FFAR1FFAR4NFKB1CA1
SCHEMBL261661 0.93 GPR84 (0.67) GPR84FFAR1FFAR4NFKB1CA1
SCHEMBL12074991 0.91 GPR84 (0.70) GPR84FFAR1FFAR4NFKB1TRPV1
SCHEMBL14136882 0.91 GPR84 (0.70) GPR84FFAR1FFAR4NFKB1TRPV1
SCHEMBL12075381 0.91 GPR84 (0.70) GPR84FFAR1FFAR4NFKB1TRPV1
SCHEMBL22391516 0.91 GPR84 (0.70) GPR84FFAR1FFAR4NFKB1TRPV1
SCHEMBL669622 0.91 GPR84 (0.70) GPR84FFAR1FFAR4NFKB1TRPV1
SCHEMBL12075188 0.91 GPR84 (0.70) GPR84FFAR1FFAR4NFKB1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200165640-A1 FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS SUSTAINABLE MOMENTUM, S.L. (ES) 2020-05-28 US disclosed
CN-110945122-A Fructose-6-phosphate aldolase variants for aldol condensation carbon linking 西班牙高等科研理事会 2020-03-31 CN disclosed
EP-3610011-A1 FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2020-02-19 EP disclosed
WO-2018189026-A1 FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2018-10-18 WO disclosed
EP-3388518-A1 FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2018-10-17 EP disclosed
US-7318932-B2 Coatings for drug delivery devices comprising hydrolitically stable adducts of poly(ethylene-co-vinyl alcohol) and methods for fabricating the same ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2008-01-15 US disclosed
CN-1962595-A Method for synthesis of 3-octene-2-ketone SHANGHAI RES INST OF SPICERY (CN) 2007-05-16 CN disclosed