SCHEMBL4305918

SCHEMBL4305918

CCCCCCC(=O)Nc1cc(CO)cc(C(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.45
ALDH1A1 P00352 3/20 0.45
ENPP2 Q13822 1/20 0.45
DGAT2 Q96PD7 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MDH1 P40925 1/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL4309070 1.00 CNR1 (0.45) CNR1ALDH1A1ENPP2DGAT2KDM4E
SCHEMBL21998679 0.89 KDM4E (0.55) CNR1ALDH1A1ENPP2DGAT2KDM4E
SCHEMBL21998921 0.89 KDM4E (0.55) CNR1ALDH1A1ENPP2DGAT2KDM4E
SCHEMBL21998903 0.89 KDM4E (0.55) CNR1ALDH1A1ENPP2DGAT2KDM4E
SCHEMBL4315477 0.89 KDM4E (0.51) CNR1ALDH1A1ENPP2DGAT2KDM4E
SCHEMBL4310606 0.87 HDAC3 (0.55) CNR1ALDH1A1KDM4ELMNANPC1
SCHEMBL4315463 0.87 HDAC3 (0.55) CNR1ALDH1A1KDM4ELMNANPC1
SCHEMBL13625698 0.86 ENPP2 (0.54) CNR1ENPP2DGAT2LMNANPC1
SCHEMBL4303811 0.85 TRPV1 (0.43) CNR1ALDH1A1KDM4ELMNACYP1A2
SCHEMBL10602139 0.82 CNR1 (0.64) CNR1ALDH1A1KDM4ECYP1A2CYP3A4

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