SCHEMBL29951632

SCHEMBL29951632

O=Cc1coc2c(O)c(O)ccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ ALOX15 P16050 6/20 0.55
▸ ALOX12 P18054 6/20 0.55
▸ XDH P47989 1/20 0.55
▸ PFKFB3 Q16875 1/20 0.55
▸ ATP1A1 P05023 2/20 0.53
▸ ATP1B1 P05026 2/20 0.53
▸ ATP1A3 P13637 2/20 0.53
▸ ATP1B2 P14415 2/20 0.53
▸ ATP1A2 P50993 2/20 0.53
▸ ATP1B3 P54709 2/20 0.53
▸ FXYD2 P54710 2/20 0.53
▸ ATP1A4 Q13733 2/20 0.53
▸ NUDT1 P36639 1/20 0.53
▸ PIK3CA P42336 5/20 0.52
▸ HSP90AA1 P07900 1/20 0.49
▸ HSP90AB1 P08238 1/20 0.49

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
SCHEMBL1306154 1.00 PTPN1 (0.56) PTPN1MEN1KMT2APOLBALOX15
SCHEMBL29954142 0.84 PTPN1 (0.54) PTPN1MEN1KMT2APOLBALOX15
SCHEMBL21591443 0.73 PTPN1 (0.56) PTPN1MEN1KMT2APOLBMAOA
SCHEMBL10994834 0.73 ALOX15 (0.59) MEN1KMT2APOLBALOX15ALOX12
SCHEMBL11151168 0.72 ALOX15 (0.55) MEN1KMT2AALOX15ALOX12XDH
SCHEMBL234354 0.72 ALOX15 (0.75) MEN1KMT2AALOX15ALOX12XDH
SCHEMBL11872015 0.72 PTPN1 (1.00) PTPN1MEN1KMT2APOLBGAA
SCHEMBL29950744 0.72 PTPN1 (1.00) PTPN1MEN1KMT2APOLBGAA
SCHEMBL30533224 0.71 XDH (1.00) MEN1KMT2AALOX15ALOX12XDH
SCHEMBL28705298 0.71 ALOX15 (0.73) MEN1KMT2AALOX15ALOX12XDH

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
Send feedback