SCHEMBL7529040

SCHEMBL7529040

Cc1cc(OC(C)C)cc(=O)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 6/20 0.50
HPGD P15428 5/20 0.50
HSD17B10 Q99714 2/20 0.50
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.45
CYP3A4 P08684 2/20 0.45
KMT2A Q03164 2/20 0.45
GLA P06280 1/20 0.45
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
NQO1 P15559 1/20 0.38
ELANE P08246 1/20 0.38
BRD4 O60885 2/20 0.38
ABCB1 P08183 1/20 0.36
BRPF1 P55201 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL1263805 0.77 CA1 (0.54) ALDH1A1KDM4EHPGDHSD17B10CA1
SCHEMBL7461497 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10CA1
SCHEMBL7964491 0.73 KDM4E (0.60) ALDH1A1KDM4EHPGDHSD17B10CA1
SCHEMBL9901098 0.72 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10CA1
SCHEMBL15177531 0.72 CA1 (0.48) ALDH1A1KDM4EHPGDHSD17B10CA1
SCHEMBL10227610 0.71 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10CA1
SCHEMBL13813804 0.71 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10CA1
SCHEMBL9901826 0.71 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10CA1
SCHEMBL8370932 0.69 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL25173859 0.69 ACHE (0.54) ALDH1A1KDM4EHPGDHSD17B10CA1

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
EP-1032572-B1 PYRANONES, METHOD FOR THE PRODUCTION AND USE THEREOF SCHWABE WILLMAR GMBH & CO (DE) 2002-12-11 EP disclosed