SCHEMBL5961394

SCHEMBL5961394

C=CC(CCCCC)(CCCCCCCCCCCCC)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
GGPS1 O95749 6/20 0.39
FDPS P14324 8/20 0.38
FAAH O00519 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL15859490 1.00 CES2 (0.41) CES2ZDHHC20ZDHHC2GGPS1FDPS
SCHEMBL4662016 1.00 CES2 (0.41) CES2ZDHHC20ZDHHC2GGPS1FDPS
SCHEMBL7059895 0.98 CES2 (0.40) CES2ZDHHC20ZDHHC2GGPS1FDPS
SCHEMBL9324160 0.96 CES2 (0.39) CES2ZDHHC20ZDHHC2GGPS1FDPS
SCHEMBL5280547 0.92 CES2 (0.39) CES2ZDHHC20ZDHHC2GGPS1FDPS
SCHEMBL7543357 0.86 CES2 (0.35) CES2ZDHHC20ZDHHC2GGPS1FDPS
SCHEMBL7058870 0.85 ALDH1A1 (0.39) CES2ZDHHC20ZDHHC2FAAHTSHR
SCHEMBL10757979 0.82 CES2 (0.40) CES2ZDHHC20ZDHHC2TSHRMEN1
SCHEMBL11042964 0.81 TSHR (0.33) ZDHHC20ZDHHC2FAAHTSHR
SCHEMBL11040959 0.79 TSHR (0.32) ZDHHC20ZDHHC2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250577-A1 HYDROSILANE/LEWIS ACID ADDUCT, PARTICULARLY ALUMINUM, IRON, AND ZINC, METHOD FOR PREPARING SAME, AND USE OF SAID SAME IN REACTIONS FOR REDUCING CARBONYL DERIVATIVES Centre National De La Recherche Scientifique (FR) 2017-12-06 EP claimed
WO-2016120574-A1 HYDROSILANE/LEWIS ACID ADDUCT, PARTICULARLY ALUMINUM, IRON, AND ZINC, METHOD FOR PREPARING SAME, AND USE OF SAID SAME IN REACTIONS FOR REDUCING CARBONYL DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-08-04 WO claimed
EP-1240133-B1 METHODS OF PREPARING SUBSTITUTED TETRACYCLINES WITH TRANSITION METAL-BASED CHEMISTRIES TUFTS COLLEGE (US) 2006-04-19 EP claimed
EP-3250577-A1 HYDROSILANE/LEWIS ACID ADDUCT, PARTICULARLY ALUMINUM, IRON, AND ZINC, METHOD FOR PREPARING SAME, AND USE OF SAID SAME IN REACTIONS FOR REDUCING CARBONYL DERIVATIVES Centre National De La Recherche Scientifique (FR) 2017-12-06 EP disclosed
WO-2016120574-A1 HYDROSILANE/LEWIS ACID ADDUCT, PARTICULARLY ALUMINUM, IRON, AND ZINC, METHOD FOR PREPARING SAME, AND USE OF SAID SAME IN REACTIONS FOR REDUCING CARBONYL DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-08-04 WO disclosed