SCHEMBL11377802

SCHEMBL11377802

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.50
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NOTUM Q6P988 1/20 0.45
▸ PTPN11 Q06124 1/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CASP9 P55211 1/20 0.41
▸ PLA2G4B P0C869 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40

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
SCHEMBL25386273 0.88 PPARG (0.48) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL21437479 0.82 EGFR (0.48) KDM4EHPGDHSD17B10ALDH1A1GAA
SCHEMBL27792952 0.82 HRH3 (0.43) KDM4ESMN1; SMN2TSHRCASP3CASP7
SCHEMBL2334848 0.81 ALDH1A1 (0.46) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL11608784 0.80 KDM4E (0.50) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL23617308 0.79 DPP4 (0.48) KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL11382505 0.79 KDM4E (0.44) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL13162902 0.78 SMN1; SMN2 (0.57) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL16267611 0.78 KDM4E (0.47) KDM4EHSD17B10ALDH1A1GAAL3MBTL1
SCHEMBL930228 0.77 ALDH1A1 (0.59) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2

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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