SCHEMBL11378327

SCHEMBL11378327

CCOC(=O)Cc1cc(OCBr)ccc1C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.44
▸ HPGD P15428 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ GAA P10253 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA7 P43166 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA14 Q9ULX7 2/20 0.42
▸ TSHR P16473 1/20 0.41
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL11382505 0.89 KDM4E (0.44) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL14157079 0.80 ALDH1A1 (0.49) KDM4EALDH1A1TP53MAPTMAPK1
SCHEMBL9541197 0.80 KDM4E (0.51) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL15835741 0.77 LMNA (0.50) HPGDHSD17B10GAAALDH1A1MAPT
SCHEMBL10517001 0.77 MAPK1 (0.48) KDM4EHPGDMAPTMAPK1CA12
SCHEMBL11375452 0.76 DPP4 (0.46) GAAALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL6904947 0.75 TBXAS1 (0.53) HPGDGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL3481117 0.74 HPGD (0.53) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL8322496 0.74 HPGD (0.50) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL10565958 0.74 ALDH1A1 (0.46) KDM4EHPGDGAAALDH1A1MAPT

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-4273773-A IN COMBINATION WITH A DIURETIC AMERICAN HOME PRODUCTS CORPORATION (US) 1981-06-16 — — US disclosed
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