SCHEMBL11573163

SCHEMBL11573163

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ACLY P53396 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ PSMB8 P28062 1/20 0.32
▸ PSMB9 P28065 1/20 0.32
▸ PSMB6 P28072 1/20 0.32
▸ PSMB5 P28074 1/20 0.32
▸ PSMB10 P40306 1/20 0.32
▸ AKR1B1 P15121 2/20 0.31
▸ AKR1A1 P14550 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HIF1A Q16665 1/20 0.30

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 0.80 THRB (0.43) PDK2MEN1KMT2AACLYPSMB8
SCHEMBL11573153 0.76 THRB (0.45) PDK2MEN1KMT2AALDH1A1AKR1B1
Biphenyl SCHEMBL27373094 0.63 SLC13A5 (0.55) MEN1KMT2AALDH1A1CYP1A2HIF1A
SCHEMBL10915746 0.61 PDK2 (0.51) PDK2ALDH1A1AKR1B1AKR1A1CYP1A2
SCHEMBL30519841 0.61 THRB (0.70) PDK2AKR1B1AKR1A1
SCHEMBL68561 0.61 THRB (0.70) PDK2AKR1B1AKR1A1
SCHEMBL9075500 0.61 PDK2 (0.51) PDK2AKR1B1AKR1A1
SCHEMBL8539410 0.59 THRB (0.55) PDK2AKR1B1AKR1A1
SCHEMBL4023562 0.58 THRB (0.64) PDK2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL2236854 0.58 ALDH1A1 (0.65) MEN1KMT2AACLYALDH1A1CYP1A2

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
Send feedback