SCHEMBL7868075

SCHEMBL7868075

CC(C)(C)CC(=O)Oc1cccc([CH]CCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.42
ALDH1A1 P00352 3/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 3/20 0.39
HTT P42858 1/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL7868078 0.82 PPARG (0.49) KMT2APPARGPPARA
SCHEMBL2769996 0.78 MAOA (0.45) GPR52ALDH1A1MAOAMAOBKDM4E
SCHEMBL17138190 0.78 KMT2A (0.48) KMT2AMEN1
SCHEMBL2448081 0.76 L3MBTL1 (0.47) ALDH1A1KMT2AHTT
SCHEMBL7871801 0.76 PPARG (0.43) HTTPPARGPPARA
SCHEMBL28096942 0.75 G6PC1 (0.55) GPR52ALDH1A1MAOAMAOBKDM4E
SCHEMBL2769712 0.75 PPARA (0.53) ALDH1A1MAOAMAOBKDM4EPKM
SCHEMBL28220738 0.74 ACHE (0.47) MAOBKMT2AMEN1
SCHEMBL28389846 0.73 LMNA (0.61) ALDH1A1KMT2APPARGMEN1
SCHEMBL27578836 0.72 LMNA (0.50) KMT2AMEN1

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-6316405-B1 CYCLOSPORIN A, POLYPEPTIDES, COMPONENT OF AMYLOID PLAQUES FOUND IN NEUROLOGICAL DISORDERS SUCH AS ALZHEIMER'S DISEASE, MULTIPLE SCLEROSIS, AND AMYOTROPHIC LATERAL SCLEROSIS. THE CONJUGATES ARE USEFUL IN THE TREATMENT OF NEUROLOGICAL WISCONSIN ALUMNI RESEARCH FOUNDATION 2001-11-13 US disclosed