SCHEMBL11584038

SCHEMBL11584038

Cc1cccc(OS(=O)(=O)c2ccc(C(=O)O)c(C(=O)O)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR17 Q13304 3/20 0.46
▸ P2RY2 P41231 2/20 0.45
▸ F2 P00734 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ G6PD P11413 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL11704023 0.86 POLB (0.49) GPR17L3MBTL1POLBAPEX1CTDSP1
SCHEMBL2548812 0.85 POLB (0.50) ALDH1A1ALOX15HSD17B10MAPTL3MBTL1
SCHEMBL11582906 0.84 POLB (0.50) ALDH1A1L3MBTL1POLBAPEX1CTDSP1
SCHEMBL1636289 0.84 POLB (0.55) ALDH1A1HPGDHSD17B10L3MBTL1POLB
SCHEMBL11585601 0.83 GPR17 (0.46) GPR17P2RY2ALDH1A1L3MBTL1POLB
SCHEMBL11585134 0.83 GPR17 (0.46) GPR17P2RY2ALDH1A1GAAMAPT
SCHEMBL11583355 0.83 GPR17 (0.45) GPR17P2RY2ALDH1A1GAAMAPT
SCHEMBL11583638 0.83 PTPN1 (0.42) ALDH1A1MAPK1GAAL3MBTL1POLB
SCHEMBL11583839 0.83 L3MBTL1 (0.50) F2ALDH1A1HPGDALOX15HSD17B10
Water SCHEMBL7466907 0.82 POLB (0.54) ALDH1A1HPGDHSD17B10L3MBTL1POLB

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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