SCHEMBL9075500

SCHEMBL9075500

O=C(O)OC1(O)c2ccccc2-c2ccc(Cl)cc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 12/20 0.51
AKR1A1 P14550 1/20 0.43
AKR1B1 P15121 1/20 0.43
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
S100A4 P26447 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL987799 0.85 THRB (0.55) PDK2THRBTDP1HSP90AA1
SCHEMBL30519841 0.76 THRB (0.70) PDK2AKR1A1AKR1B1THRBTDP1
SCHEMBL68561 0.76 THRB (0.70) PDK2AKR1A1AKR1B1THRBTDP1
SCHEMBL10915746 0.73 PDK2 (0.51) PDK2AKR1A1AKR1B1THRBTDP1
SCHEMBL8827312 0.72 PDK2 (0.50) PDK2AKR1A1AKR1B1THRBTDP1
SCHEMBL124841 0.72 PDK2 (0.50) PDK2AKR1A1AKR1B1THRBTDP1
SCHEMBL29359326 0.72 PDK2 (0.50) PDK2AKR1A1AKR1B1THRBTDP1
SCHEMBL8539410 0.71 THRB (0.55) PDK2AKR1A1AKR1B1THRBTDP1
SCHEMBL25134687 0.70 PDK2 (0.60) PDK2AKR1A1AKR1B1S100A4
SCHEMBL5669044 0.70 PDK2 (0.55) PDK2AKR1A1AKR1B1THRBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726707-A1 ROOTING INHIBITORS BAYER AG (DE) 1996-08-21 EP disclosed
WO-1995012312-A1 ROOTING INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1995-05-11 WO disclosed
EP-0167776-B1 PLANT-GROWTH REGULATING AGENT HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-05 EP disclosed
EP-0167776-A1 Plant-growth regulating agent HOECHST AKTIENGESELLSCHAFT (DE) 1986-01-15 EP disclosed
US-4550205-A CONTROLLING WEEDS; LEAF-DESSICATION; DEFOLIATION DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1985-10-29 US disclosed
EP-0080746-B1 NEW DIPHENYL ETHERS HAVING HERBICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1985-08-21 EP disclosed
EP-0079635-A1 Arylphenyl ethers having herbicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1983-05-25 EP disclosed
EP-0041298-A2 Composition for inhibiting or preventing the development of suckers in tobacco plants DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1981-12-09 EP disclosed