SCHEMBL6164008

SCHEMBL6164008

CC(=O)OC1=CC(=O)CC(C)(C)C1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.62
MAPT P10636 4/20 0.62
KMT2A Q03164 4/20 0.62
ALDH1A1 P00352 4/20 0.62
GAA P10253 5/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 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
SCHEMBL10795656 0.81 ALDH1A1 (0.57) HPGDMAPTKMT2AALDH1A1GAA
SCHEMBL9196237 0.81 HPGD (0.57) HPGDMAPTKMT2AALDH1A1GAA
SCHEMBL11791375 0.80 MAPT (0.44) HPGDMAPTKMT2AALDH1A1GAA
SCHEMBL9298611 0.80 KMT2A (0.56) HPGDMAPTKMT2AALDH1A1GAA
SCHEMBL25440299 0.78 KMT2A (0.76) HPGDMAPTKMT2AALDH1A1GAA
SCHEMBL25440183 0.77 MAPT (0.78) HPGDMAPTKMT2AALDH1A1GAA
SCHEMBL25440072 0.77 KMT2A (1.00) HPGDMAPTKMT2AALDH1A1GAA
SCHEMBL124904 0.76 ALDH1A1 (0.51) HPGDMAPTKMT2AALDH1A1GAA
SCHEMBL14501302 0.76 KMT2A (0.52) HPGDMAPTKMT2AALDH1A1GAA
SCHEMBL2027720 0.76 MAPT (1.00) HPGDMAPTKMT2AALDH1A1GAA

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-1177185-B1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-04-20 EP disclosed
US-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed