SCHEMBL11573169

SCHEMBL11573169

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PDK2 Q15119 3/20 0.39
▸ ACLY P53396 7/20 0.38
▸ PSMB8 P28062 1/20 0.38
▸ PSMB9 P28065 1/20 0.38
▸ PSMB6 P28072 1/20 0.38
▸ PSMB5 P28074 1/20 0.38
▸ PSMB10 P40306 1/20 0.38
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL11573153 0.90 THRB (0.45) THRBTDP1PDK2MEN1KMT2A
SCHEMBL11573163 0.80 PDK2 (0.36) PDK2ACLYPSMB8PSMB9PSMB6
SCHEMBL68561 0.78 THRB (0.70) THRBTDP1PDK2
SCHEMBL30519841 0.78 THRB (0.70) THRBTDP1PDK2
Biphenyl SCHEMBL27373094 0.74 SLC13A5 (0.55) MEN1KMT2A
SCHEMBL4023562 0.72 THRB (0.64) THRBTDP1PDK2MEN1KMT2A
SCHEMBL8539410 0.72 THRB (0.55) THRBTDP1PDK2
SCHEMBL120476 0.71 THRB (0.53) THRBTDP1PDK2
SCHEMBL2236854 0.69 ALDH1A1 (0.65) ACLYMEN1KMT2A
SCHEMBL15449183 0.67 PDK2 (0.51) THRBTDP1PDK2

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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