SCHEMBL11382505

SCHEMBL11382505

CCOC(=O)Cc1ccc(OCBr)cc1C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TSHR P16473 1/20 0.41
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL11378327 0.89 KDM4E (0.44) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL25386200 0.85 ALDH1A1 (0.52) KDM4EALDH1A1HPGDGAAMAPT
Hydrochloric Acid SCHEMBL8472028 0.82 HSD17B10 (0.46) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL11377261 0.80 ALDH1A1 (0.49) KDM4EALDH1A1MAPTTP53MAPK1
SCHEMBL10516254 0.80 TSHR (0.49) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL11377802 0.79 KDM4E (0.50) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL11377800 0.79 CA12 (0.64) ALDH1A1GAAMAPTTSHRCA12
SCHEMBL10514703 0.77 MAPK1 (0.48) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL11375452 0.76 DPP4 (0.46) ALDH1A1GAAMAPTSMN1; SMN2TDP1
SCHEMBL8469779 0.76 ADRA1A (0.47) KDM4EALDH1A1HPGDGAAHSD17B10

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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