SCHEMBL4764326

SCHEMBL4764326

[CH2][C@H](C(=O)OC(C)C)c1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.52
CA1 P00915 7/20 0.52
CA2 P00918 7/20 0.52
CA7 P43166 7/20 0.52
CA9 Q16790 7/20 0.52
CA14 Q9ULX7 7/20 0.52
AKR1B10 O60218 1/20 0.49
AKR1B1 P15121 1/20 0.49
ESR1 P03372 5/20 0.43
ESR2 Q92731 4/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MIF P14174 1/20 0.38
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
PGR P06401 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL19924995 0.83 HCAR2 (0.46) CA12CA1CA2CA7CA9
SCHEMBL16993624 0.83 HCAR2 (0.46) CA12CA1CA2CA7CA9
SCHEMBL4776015 0.83 HCAR2 (0.46) CA12CA1CA2CA7CA9
SCHEMBL9235447 0.81 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL4767023 0.81 ESR1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL4771223 0.81 ESR1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL27662344 0.81 ESR1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL11465548 0.78 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL4766810 0.76 MIF (0.40) CA12CA1CA2CA7CA9
SCHEMBL27744601 0.76 CA12 (0.50) CA12CA1CA2CA7CA9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP claimed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP claimed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 WO claimed
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP disclosed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP disclosed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 WO disclosed