SCHEMBL11537833

SCHEMBL11537833

CCC1(C)Cc2ccc(C)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
KDM4E B2RXH2 3/20 0.44
METAP1 P53582 3/20 0.44
PRNP P04156 1/20 0.42
PPARG P37231 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
ACHE P22303 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PARP1 P09874 1/20 0.39
PARP10 Q53GL7 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL12086628 0.87 METAP1 (0.41) GAAKDM4EMETAP1PPARGACHE
SCHEMBL31012318 0.85 METAP1 (0.42) KDM4EMETAP1ACHECA1CA2
SCHEMBL7187309 0.85 METAP1 (0.42) KDM4EMETAP1ACHECA1CA2
SCHEMBL28440046 0.83 DGAT1 (0.42) METAP1ACHECA1CA2CA4
SCHEMBL5198058 0.83 METAP1 (0.41) KDM4EMETAP1ACHECA1CA2
SCHEMBL5200330 0.83 METAP1 (0.41) GAAKDM4EMETAP1ACHECA1
SCHEMBL11528415 0.82 GAA (0.43) GAAKDM4EMETAP1PRNPPPARG
SCHEMBL5199680 0.80 METAP1 (0.39) KDM4EMETAP1ACHECA1CA2
SCHEMBL11931725 0.79 METAP1 (0.38) METAP1ACHECA1CA2CA4
SCHEMBL2351057 0.79 METAP1 (0.49) KDM4EMETAP1ACHECA1CA2

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-4166131-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANTIARTHRITIC AGENT HEXACHIMIE SOCIETE ANONYME (FR) 1979-08-28 US disclosed