SCHEMBL7862961

SCHEMBL7862961

CCC(CO)(Oc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.44
PPARG P37231 14/20 0.43
PPARD Q03181 3/20 0.43
ADORA3 P0DMS8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL23754112 0.91 PPARG (0.45) PPARAPPARGPPARDADORA3KDM4E
SCHEMBL11763480 0.89 PPARG (0.44) PPARAPPARGPPARDADORA3KDM4E
SCHEMBL9753649 0.89 ALOX15 (0.42) PPARAPPARGPPARDMAPTALOX15
SCHEMBL5707517 0.84 LMNA (0.49) PPARAPPARGKDM4EL3MBTL1
SCHEMBL28258662 0.84 PPARG (0.42) PPARAPPARGPPARDADORA3KDM4E
SCHEMBL26135414 0.84 PPARG (0.45) PPARAPPARGPPARDADORA3KDM4E
SCHEMBL27605264 0.83 PIN1 (0.46) PPARAPPARGKDM4EMAPTNPSR1
SCHEMBL28212657 0.80 GAA (0.44) PPARAPPARGPPARDL3MBTL1
SCHEMBL10903534 0.80 ALDH1A1 (0.46) PPARAPPARGPPARDADORA3KDM4E
SCHEMBL28193083 0.80 MAPT (0.41) PPARAPPARGPPARDMAPTALOX15

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
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
WO-1999010374-A1 CYCLOSPORIN A CONJUGATES AND USES THEREFOR WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-03-04 WO disclosed