SCHEMBL11573153

SCHEMBL11573153

NNC(=O)CC(O)(CC(=O)NN)C(=O)NN.O=C(O)C1(O)c2ccccc2-c2ccc(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ PDK2 Q15119 7/20 0.41
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ F2 P00734 2/20 0.34
▸ AKR1B1 P15121 2/20 0.33
▸ FABP4 P15090 1/20 0.33
▸ AKR1A1 P14550 1/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ATG4B Q9Y4P1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL11573169 0.90 THRB (0.43) THRBTDP1PDK2MEN1KMT2A
SCHEMBL30519841 0.80 THRB (0.70) THRBTDP1PDK2AKR1B1FABP4
SCHEMBL68561 0.80 THRB (0.70) THRBTDP1PDK2AKR1B1FABP4
SCHEMBL11573163 0.76 PDK2 (0.36) PDK2MEN1KMT2AALDH1A1AKR1B1
SCHEMBL4023562 0.74 THRB (0.64) THRBTDP1PDK2MEN1KMT2A
SCHEMBL8539410 0.73 THRB (0.55) THRBTDP1PDK2AKR1B1FABP4
SCHEMBL120476 0.73 THRB (0.53) THRBTDP1PDK2ALDH1A1AKR1B1
SCHEMBL15449183 0.69 PDK2 (0.51) THRBTDP1PDK2F2AKR1B1
SCHEMBL8827312 0.68 PDK2 (0.50) THRBTDP1PDK2ALDH1A1AKR1B1
SCHEMBL124841 0.68 PDK2 (0.50) THRBTDP1PDK2ALDH1A1AKR1B1

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-4135909-A Salts of phosphonic acids BASF AKTIENGESELLSCHAFT (DE) 1979-01-23 — — US disclosed
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