SCHEMBL7592181

SCHEMBL7592181

CC(C)OC(=O)c1cc(Br)cc(C(=O)OC(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.62
CA1 P00915 6/20 0.62
CA2 P00918 6/20 0.62
CA7 P43166 6/20 0.62
CA9 Q16790 6/20 0.62
CA14 Q9ULX7 6/20 0.62
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
NOTUM Q6P988 1/20 0.43
PTPN11 Q06124 2/20 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
SCHEMBL4517456 0.96 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL16606258 0.89 CA12 (0.75) CA12CA1CA2CA7CA9
SCHEMBL7595565 0.82 L3MBTL1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL4514092 0.81 SMN1; SMN2 (0.56) CA12CA1CA2CA7CA9
SCHEMBL23066461 0.81 CA12 (0.92) CA12CA1CA2CA7CA9
SCHEMBL12023350 0.81 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL5839605 0.81 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL19204661 0.80 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL20855394 0.80 MAPT (0.70) CA12CA1CA2CA7CA9
SCHEMBL8588666 0.79 CA12 (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0855400-B1 Phenylphosphonic acid derivative and production process therefor NISSAN CHEMICAL IND LTD (JP) 2002-11-06 EP disclosed
US-5880309-A DIALKYL DIALKOXYCARBONYLPHENYL PHOSPHONATES USEFUL AS RESIN MODIFIERS PRODUCED AT HIGH YIELD AND LOW COST BY HEATING A TRIALKYL PHOSPHITE AND A DIALKOXYCARBONYLPHENYL HALIDE IN THE PRESENCE OF A PALLADIUM OR NICKEL CATALYST AND HYDROLYZING NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-09 US disclosed
EP-0855400-A1 Phenylphosphonic acid derivative and production process therefor NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-07-29 EP disclosed