SCHEMBL1978508

SCHEMBL1978508

COc1cccc(CC2(C)CC(=O)c3cc(Br)ccc3O2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.44
APP P05067 1/20 0.43
KDM4E B2RXH2 2/20 0.42
KLK7 P49862 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
AKT1 P31749 1/20 0.40
CMA1 P23946 1/20 0.40
PPIB P23284 1/20 0.39
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
CNR2 P34972 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL1978480 0.79 KDM4E (0.47) MAOBKDM4EMEN1KMT2ACYP3A4
SCHEMBL1978518 0.78 AKT1 (0.44) MAOBKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1978759 0.74 MEN1 (0.36) MAOBAPPMEN1KMT2ACMA1
SCHEMBL10237816 0.74 AKT1 (0.54) MAOBKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1982797 0.73 MEN1 (0.39) MAOBMEN1KMT2ACMA1MDM2
SCHEMBL8514081 0.73 AKT1 (0.56) MAOBKDM4EKMT2ASMN1; SMN2AKT1
SCHEMBL1981849 0.72 AKT1 (0.42) MAOBKDM4EKLK7KMT2ASMN1; SMN2
SCHEMBL8512880 0.72 AKT1 (0.47) MAOBKDM4EKLK7KMT2ASMN1; SMN2
SCHEMBL1982412 0.71 BACE1 (0.46) MEN1KMT2AMAPTMDM2
SCHEMBL874004 0.71 AKT1 (0.60) MAOBKDM4EKMT2ASMN1; SMN2AKT1

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-2011072064-A1 S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 WO disclosed