SCHEMBL2274540

SCHEMBL2274540

Cc1cccc2c1-c1c(C3CCCCC3)c3ccc(C(=O)O)cc3n1C[C@@H](NCc1ccccc1)CO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.55
MMP12 P39900 1/20 0.55
SCN9A Q15858 2/20 0.34
DVL1 O14640 1/20 0.34
DVL3 Q92997 1/20 0.34
LTA4H P09960 3/20 0.33
NR1I2 O75469 2/20 0.33
PPM1D O15297 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
FABP4 P15090 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
CNR2 P34972 2/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL2280948 0.90 PRKCA (0.51) PRKCAMMP12SCN9ADVL1DVL3
SCHEMBL392344 0.89 PRKCA (0.55) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL4206539 0.89 PRKCA (0.66) PRKCAMMP12SCN9ALTA4HNR1I2
SCHEMBL394439 0.85 PRKCA (0.57) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL4206393 0.85 PRKCA (0.56) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL393733 0.84 PRKCA (0.51) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL2274538 0.84 PRKCA (0.59) PRKCAMMP12SCN9ALTA4HNR1I2
SCHEMBL2273255 0.81 PRKCA (0.54) PRKCAMMP12SCN9ANR1I2EGLN1
SCHEMBL3089205 0.81 PRKCA (0.66) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL2279944 0.81 PRKCA (0.70) PRKCAMMP12SCN9ANR1I2CYP3A4

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
US-7989438-B2 Therapeutic compounds ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-02 US disclosed