SCHEMBL11585606

SCHEMBL11585606

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 1/20 0.53
▸ GPR17 Q13304 1/20 0.53
▸ XDH P47989 1/20 0.45
▸ SLC22A12 Q96S37 1/20 0.45
▸ HTT P42858 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PGR P06401 1/20 0.40
▸ EPAS1 Q99814 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ABL2 P42684 1/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ MCL1 Q07820 1/20 0.38
▸ PYGL P06737 2/20 0.38
▸ CCR2 P41597 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KAT6A Q92794 1/20 0.38

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
Water SCHEMBL7466907 0.82 POLB (0.54) HTTPOLBAPEX1CTDSP1L3MBTL1
SCHEMBL2548812 0.82 POLB (0.50) POLBAPEX1CTDSP1L3MBTL1ABL1
SCHEMBL1636289 0.80 POLB (0.55) HTTPOLBAPEX1CTDSP1L3MBTL1
SCHEMBL11585134 0.80 GPR17 (0.46) P2RY2GPR17POLBAPEX1CTDSP1
SCHEMBL11585601 0.80 GPR17 (0.46) P2RY2GPR17XDHSLC22A12POLB
SCHEMBL11584038 0.80 GPR17 (0.46) P2RY2GPR17XDHSLC22A12HTT
SCHEMBL11704023 0.80 POLB (0.49) GPR17HTTPOLBAPEX1CTDSP1
SCHEMBL11583355 0.80 GPR17 (0.45) P2RY2GPR17POLBAPEX1CTDSP1
SCHEMBL11458760 0.80 P2RY2 (0.50) P2RY2GPR17SLC22A12PGREPAS1
SCHEMBL11585603 0.79 KDM4E (0.45) P2RY2GPR17XDHSLC22A12HTT

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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