SCHEMBL1826737

SCHEMBL1826737

CC(C(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.47
▸ ADAMTS4 O75173 1/20 0.46
▸ CXCR2 P25025 2/20 0.42
▸ CXCR1 P25024 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ENPP3 O14638 5/20 0.41
▸ ENPP1 P22413 5/20 0.41
▸ ENPP2 Q13822 3/20 0.40
▸ P2RX7 Q99572 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ APP P05067 1/20 0.39

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
SCHEMBL1826788 0.88 KMT2A (0.47) CXCR2MAPTALDH1A1ENPP3ENPP1
SCHEMBL1821552 0.86 PTGS1 (0.46) TDP1ADAMTS4MAPTALDH1A1SMN1; SMN2
SCHEMBL2834868 0.85 ADAMTS4 (0.52) TDP1ADAMTS4CXCR2MAPTNPC1
SCHEMBL1345327 0.83 ADAMTS4 (0.55) TDP1ADAMTS4CXCR2MAPTNPC1
SCHEMBL2835298 0.83 ADAMTS4 (0.55) TDP1ADAMTS4CXCR2MAPTNPC1
SCHEMBL1345199 0.83 ADAMTS4 (0.55) TDP1ADAMTS4CXCR2MAPTNPC1
SCHEMBL2832246 0.83 TDP1 (0.48) TDP1ADAMTS4MAPTNPC1RAB9A
SCHEMBL1827845 0.83 MAPT (0.44) TDP1ADAMTS4MAPTNPC1RAB9A
SCHEMBL1824672 0.82 TDP1 (0.53) TDP1ADAMTS4CXCR2CXCR1MAPT
SCHEMBL1825479 0.82 CXCR2 (0.47) TDP1CXCR2CXCR1ALDH1A1SMN1; SMN2

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
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 — — EP disclosed
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