SCHEMBL8564886

SCHEMBL8564886

COCCOc1cccc(Cl)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
TRPM4 Q8TD43 1/20 0.43
FABP4 P15090 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
PTK2B Q14289 1/20 0.41
GAA P10253 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL28051201 0.89 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL8563507 0.86 HPGD (0.48) CA12CA1CA2CA7CA9
SCHEMBL694933 0.86 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL23615924 0.84 PPARA (0.47) CA12CA1CA2CA7CA9
SCHEMBL28229270 0.82 L3MBTL1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL4992797 0.81 PTPN1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL696000 0.80 CA12 (0.74) CA12CA1CA2CA7CA9
SCHEMBL28731712 0.79 KMT2A (0.61) HPGDTSHRALDH1A1KDM4EHSD17B10
SCHEMBL8848393 0.78 PTGER1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL27697961 0.76 ALDH1A1 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed