SCHEMBL3410982

SCHEMBL3410982

CCCCCCC(=O)OC(=O)CCCCC.CCCCCCN(CCCCCC)CCCCCC.CCCCCCN(CCCCCC)CCCCCC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.53
DNM1 Q05193 1/20 0.53
KDM5A P29375 3/20 0.51
PHF8 Q9UPP1 2/20 0.51
KDM4C Q9H3R0 1/20 0.51
LMNA P02545 2/20 0.50
PAM P19021 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
TSHR P16473 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
GPR84 Q9NQS5 1/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL3412676 0.98 DGKA (0.52) DGKADNM1KDM5APHF8KDM4C
SCHEMBL3415894 0.88 DNM1 (0.49) DGKADNM1LMNAPAMALDH1A1
SCHEMBL62055 0.87 DGKA (0.67) DGKALMNAPAMALDH1A1MAPT
SCHEMBL4621082 0.87 DGKA (0.67) DGKALMNAPAMALDH1A1MAPT
SCHEMBL8584840 0.87 DGKA (0.67) DGKALMNAPAMALDH1A1MAPT
SCHEMBL21647233 0.87 DGKA (0.67) DGKALMNAPAMALDH1A1MAPT
SCHEMBL152597 0.87 DGKA (0.67) DGKALMNAPAMALDH1A1MAPT
SCHEMBL15527970 0.87 DGKA (0.67) DGKALMNAPAMALDH1A1MAPT
SCHEMBL5189388 0.87 DGKA (0.67) DGKALMNAPAMALDH1A1MAPT
SCHEMBL20529845 0.87 DGKA (0.67) DGKALMNAPAMALDH1A1MAPT

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-2265617-A1 SOLVENTS Bioniqs Limited (GB) 2010-12-29 EP disclosed
WO-2009034329-A1 SOLVENTS BIONIQS LIMITED (GB) 2009-03-19 WO disclosed