SCHEMBL6210580

SCHEMBL6210580

C=C(CC)C(=O)c1ccc([O])c(Cl)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 15/20 0.58
▸ GSTA1 P08263 9/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ ABCC3 O15438 1/20 0.58
▸ PLIN1 O60240 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ TP53 P04637 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ HSPD1 P10809 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ MAP2K6 P52564 1/20 0.58
▸ HSPE1 P61604 1/20 0.58
▸ GSTO1 P78417 1/20 0.58
▸ PLIN5 Q00G26 1/20 0.58
▸ ATM Q13315 1/20 0.58

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
SCHEMBL9860105 0.83 GSTP1 (0.58) GSTP1GSTA1ALDH1A1MEN1KMT2A
SCHEMBL13284005 0.79 GSTP1 (0.70) GSTP1GSTA1ALDH1A1MEN1KMT2A
SCHEMBL20088748 0.78 GSTP1 (0.77) GSTP1GSTA1ALDH1A1MEN1KMT2A
SCHEMBL10031684 0.77 GSTP1 (0.80) GSTP1GSTA1ALDH1A1MEN1KMT2A
SCHEMBL8506844 0.76 GSTP1 (0.67) GSTP1GSTA1ALDH1A1MEN1KMT2A
SCHEMBL10014667 0.74 GSTP1 (0.80) GSTP1GSTA1ALDH1A1MEN1KMT2A
SCHEMBL8986308 0.74 GSTP1 (0.71) GSTP1GSTA1ALDH1A1MEN1KMT2A
Ethacrynic Acid SCHEMBL26353 0.74 GSTP1 (1.00) GSTP1GSTA1ALDH1A1MEN1KMT2A
SCHEMBL3713736 0.74 GSTP1 (0.80) GSTP1GSTA1ALDH1A1MEN1KMT2A
SCHEMBL8506841 0.74 GSTP1 (0.64) GSTP1GSTA1ALDH1A1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507524-A1 USE OF DIURETICS FOR TREATING SWELLINGS Wank, Rudolf (DE) 2005-02-23 — — EP disclosed
WO-2003099271-A1 USE OF DIURETICS FOR TREATING SWELLINGS WANK RUDOLF (DE) 2003-12-04 — — WO disclosed
WO-2001092283-A2 COBALAMIN COMPOUNDS USEFUL AS CARDIOVASCULAR AGENTS AND AS IMAGING AGENTS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2001-12-06 — — WO disclosed
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