SCHEMBL2280938

SCHEMBL2280938

Cc1ccc(OCc2ccccc2)c2c1-c1c(C3CCCCC3)c3ccc(C(=O)O)cc3n1C[C@@H](N(C)CCNC(=O)OC(C)(C)C)CO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.53
MMP12 P39900 1/20 0.53
GHSR Q92847 3/20 0.32
NR1I2 O75469 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KLK7 P49862 1/20 0.31
KLK5 Q9Y337 1/20 0.31
CHRM4 P08173 2/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30
CNR2 P34972 2/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30

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
SCHEMBL4213697 0.92 PRKCA (0.57) PRKCAMMP12GHSRNR1I2CYP3A4
SCHEMBL2276847 0.91 PRKCA (0.53) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2272958 0.90 PRKCA (0.55) PRKCAMMP12NR1I2CYP3A4PDK1
SCHEMBL2278545 0.89 PRKCA (0.48) PRKCAMMP12CNR2
SCHEMBL2274264 0.88 PRKCA (0.44) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2280934 0.87 PRKCA (0.51) PRKCAMMP12GHSRNR1I2CYP3A4
SCHEMBL394843 0.86 PRKCA (0.61) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2278087 0.86 PRKCA (0.51) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL393735 0.84 PRKCA (0.75) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2277222 0.83 PRKCA (0.59) PRKCAMMP12NR1I2CYP3A4CYP2C9

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