SCHEMBL8079619

SCHEMBL8079619

COc1cc(-c2c(Br)cnn(C(C)c3ccccc3)c2=O)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.44
ROCK2 O75116 2/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
POLB P06746 2/20 0.39
IDO1 P14902 1/20 0.39
FYN P06241 1/20 0.39
FAAH O00519 4/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
APAF1 O14727 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE4D Q08499 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CTSA P10619 1/20 0.37
CHEK1 O14757 1/20 0.36

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
SCHEMBL8070679 0.83 CREBBP (0.41) CREBBPROCK2CYP1A2POLBHPGD
SCHEMBL12712496 0.80 BRD4 (0.38) CREBBPROCK2FAAH
SCHEMBL7826439 0.75 FAAH (0.47) CREBBPROCK2POLBFAAHALDH1A1
SCHEMBL7735556 0.71 ALDH1A1 (0.51) CREBBPROCK2FAAHHPGDALDH1A1
SCHEMBL9954382 0.70 NPBWR1 (0.44) CREBBPFAAH
SCHEMBL8076929 0.69 CREBBP (0.41) CREBBPROCK2POLBALDH1A1MEN1
SCHEMBL9953430 0.69 PTGS2 (0.43) CREBBPROCK2ALDH1A1
SCHEMBL9954116 0.69 PTGS2 (0.43) CREBBPROCK2ALDH1A1
SCHEMBL9953264 0.69 PTGS2 (0.43) CREBBPROCK2ALDH1A1
SCHEMBL15305627 0.67 PTGS2 (0.48) CREBBPROCK2FAAH

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-2009032277-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-03-12 WO disclosed