SCHEMBL8158902

SCHEMBL8158902

CC(C)CC1Cc2cccc(-c3cccc4ccccc34)c2C1=O.O=C1c2c(cccc2-c2ccccc2)CC1C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.37
PPARA Q07869 8/20 0.37
ACHE P22303 1/20 0.35
ADRB3 P13945 1/20 0.33
GPR183 P32249 1/20 0.33
GRM2 Q14416 1/20 0.33
HTR7 P34969 3/20 0.32
HTR1A P08908 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
ACP3 P15309 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
SCHEMBL5951687 0.85 HTR7 (0.39) PPARGPPARAACHEHTR7HTR1A
SCHEMBL5951730 0.83 ACHE (0.45) ACHEHTR7HTR1AMAPTMAPK1
SCHEMBL5951450 0.82 METAP1 (0.41) ACHEHTR7HTR1A
SCHEMBL5951618 0.79 ACHE (0.48) ACHEADRB3GPR183GRM2HTR7
SCHEMBL3078503 0.75 ACHE (0.48) ACHEHTR7HTR1AATMACP3
SCHEMBL8161364 0.75 ACHE (0.39) PPARGPPARAACHEHTR7HTR1A
SCHEMBL5953322 0.73 HTR7 (0.43) ACHEHTR7HTR1AMAPT
SCHEMBL5953305 0.71 HTR7 (0.44) ACHEHTR7HTR1AMAPT
SCHEMBL5951597 0.69 MAPT (0.41) ACHEHTR7HTR1AMAPT
SCHEMBL5951507 0.69 ACHE (0.43) ACHEHTR7HTR1AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968158-A1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM Basell Polyolefine GmbH (DE) 2000-01-05 EP disclosed
WO-1998040331-A1 PREPARATION OF PREPARING SUBSTITUTED INDANONES TARGOR GMBH (DE) 1998-09-17 WO disclosed