SCHEMBL5793124

SCHEMBL5793124

CC(C)c1cccc2sc3ccccc3c(=O)c12.CCC(CC)C(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
OPRD1 P41143 1/20 0.36
LMNA P02545 4/20 0.36
MMP2 P08253 1/20 0.35

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
Benzophenone SCHEMBL5072184 0.86 GABRA1 (0.44) MAPTKMT2AALDH1A1GAAMEN1
Alcohol SCHEMBL28302782 0.84 MAPT (0.45) MAPTKMT2AALDH1A1GAAMEN1
Benzoin SCHEMBL28905160 0.84 LMNA (0.48) MAPTKMT2AALDH1A1GAAMEN1
Acetone SCHEMBL1615361 0.83 MAPT (0.46) MAPTKMT2AALDH1A1GAAMEN1
SCHEMBL27760689 0.83 MAPT (0.50) MAPTKMT2AALDH1A1GAAMEN1
SCHEMBL52045 0.83 MAPT (0.50) MAPTKMT2AALDH1A1GAAMEN1
SCHEMBL29359906 0.83 MAPT (0.50) MAPTKMT2AALDH1A1GAAMEN1
SCHEMBL29675381 0.83 MAPT (0.50) MAPTKMT2AALDH1A1GAAMEN1
SCHEMBL25183175 0.81 MAPT (0.49) MAPTKMT2AALDH1A1GAAMEN1
SCHEMBL30478400 0.81 MAPT (0.49) MAPTKMT2AALDH1A1GAAMEN1

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-2006029095-A1 PHOTOINITIATED CATIONIC EPOXY COMPOSITIONS HENKEL CORPORATION (US) 2006-03-16 WO disclosed