SCHEMBL13625698

SCHEMBL13625698

CCCCCCC(=O)Nc1cc(CO)cc(NC(=O)CCCCCC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.54
DGAT2 Q96PD7 1/20 0.54
LMNA P02545 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SOAT1 P35610 3/20 0.51
POLB P06746 1/20 0.51
SOAT2 O75908 1/20 0.51
PSMB11 A5LHX3 1/20 0.50
PSMA7 O14818 1/20 0.50
PSMB1 P20618 1/20 0.50
PSMA1 P25786 1/20 0.50
PSMA2 P25787 1/20 0.50
PSMA3 P25788 1/20 0.50
PSMA4 P25789 1/20 0.50
PSMB8 P28062 1/20 0.50
PSMB9 P28065 1/20 0.50
PSMA5 P28066 1/20 0.50
PSMB4 P28070 1/20 0.50

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
SCHEMBL16118213 0.90 LMNA (0.61) ENPP2DGAT2LMNANPC1RAB9A
SCHEMBL27975953 0.88 LMNA (0.63) ENPP2DGAT2LMNANPC1RAB9A
SCHEMBL4305918 0.86 CNR1 (0.45) ENPP2DGAT2LMNANPC1RAB9A
SCHEMBL4309070 0.86 CNR1 (0.45) ENPP2DGAT2LMNANPC1RAB9A
SCHEMBL28467935 0.85 HDAC3 (0.64) LMNANPC1RAB9ASMN1; SMN2SOAT1
SCHEMBL29796263 0.85 HDAC3 (0.64) LMNANPC1RAB9ASMN1; SMN2SOAT1
SCHEMBL21597967 0.84 ENPP2 (0.69) ENPP2DGAT2LMNANPC1RAB9A
SCHEMBL11304280 0.82 ALDH1A1 (0.62) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9170867 0.82 HDAC3 (0.55) ENPP2DGAT2LMNANPC1RAB9A
SCHEMBL28630398 0.82 TOP2A (0.49) LMNAPOLBHDAC3HDAC4HDAC1

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
WO-2009136001-A1 PROTEIN KINASE MODULATING AGENTS TUOMINEN RAIMO (FI) 2009-11-12 WO disclosed