SCHEMBL11583355

SCHEMBL11583355

O=C(O)c1ccc(S(=O)(=O)Oc2cccc(Br)c2)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR17 Q13304 2/20 0.45
▸ P2RY2 P41231 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ CTDSP1 Q9GZU7 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ EGFR P00533 2/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ ABL2 P42684 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ MCL1 Q07820 2/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ BCL2L1 Q07817 1/20 0.39
▸ SRC P12931 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL2548812 0.85 POLB (0.50) POLBCTDSP1L3MBTL1APEX1KMT2A
SCHEMBL11700788 0.84 APEX1 (0.50) POLBCTDSP1L3MBTL1APEX1KMT2A
SCHEMBL1636289 0.84 POLB (0.55) POLBCTDSP1L3MBTL1APEX1KMT2A
SCHEMBL11585134 0.83 GPR17 (0.46) GPR17P2RY2POLBCTDSP1L3MBTL1
SCHEMBL11704023 0.83 POLB (0.49) GPR17POLBCTDSP1L3MBTL1APEX1
SCHEMBL11585601 0.83 GPR17 (0.46) GPR17P2RY2POLBCTDSP1L3MBTL1
SCHEMBL11584038 0.83 GPR17 (0.46) GPR17P2RY2POLBCTDSP1L3MBTL1
Water SCHEMBL7466907 0.82 POLB (0.54) POLBCTDSP1L3MBTL1APEX1KMT2A
SCHEMBL11775259 0.81 POLB (0.47) POLBCTDSP1L3MBTL1APEX1KMT2A
SCHEMBL11583638 0.80 PTPN1 (0.42) POLBCTDSP1L3MBTL1APEX1KMT2A

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-4101551-A WATER INSOLUBILITY, AFFINITY FOR POLYESTERS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-18 — — US disclosed
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