SCHEMBL4640174

SCHEMBL4640174

COC(=O)c1ccc(C(c2ccc(C(=O)OC)cc2)C(c2ccc(C(=O)OC)cc2)c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.61
CA2 P00918 4/20 0.61
CA12 O43570 3/20 0.61
CA9 Q16790 3/20 0.61
CA14 Q9ULX7 3/20 0.61
CA7 P43166 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
TSHR P16473 1/20 0.58
MAPT P10636 5/20 0.55
ALDH1A1 P00352 3/20 0.55
LOXL2 Q9Y4K0 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
RAB9A P51151 2/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50

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
SCHEMBL28993944 0.85 CA1 (0.80) CA1CA2CA12CA9CA14
SCHEMBL23600 0.85 CA1 (0.80) CA1CA2CA12CA9CA14
SCHEMBL84424 0.84 CA1 (0.59) CA1CA2CA12CA9CA14
SCHEMBL4408604 0.84 CA1 (0.66) CA1CA2CA12CA9CA14
SCHEMBL14487959 0.84 CA1 (0.59) CA1CA2CA12CA9CA14
Methyl Alcohol SCHEMBL28561085 0.83 CA1 (0.76) CA1CA2CA12CA9CA14
SCHEMBL28531063 0.83 CA1 (0.76) CA1CA2CA12CA9CA14
SCHEMBL28993277 0.83 CA1 (0.76) CA1CA2CA12CA9CA14
Water SCHEMBL22720573 0.83 CA1 (0.76) CA1CA2CA12CA9CA14
SCHEMBL28704033 0.83 CA1 (0.76) CA1CA2CA12CA9CA14

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-1120391-B1 MOLECULAR COMPOUNDS CONTAINING NOVEL CARBOXYLIC ACID DERIVATIVES AS THE CONSTITUENT COMPOUND NIPPON SODA CO (JP) 2008-08-06 EP disclosed