SCHEMBL8104954

SCHEMBL8104954

Nc1cc(CCC(=O)O)ccc1Oc1ccc(Cl)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.70
HPGD P15428 2/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CHRM1 P11229 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
TTR P02766 5/20 0.47
FFAR4 Q5NUL3 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
RAB9A P51151 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
PGR P06401 1/20 0.44
HSP90AA1 P07900 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
MAPT P10636 1/20 0.44
HSPA5 P11021 1/20 0.44
CBR1 P16152 1/20 0.44

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
SCHEMBL8480028 0.86 MAPT (0.54) FFAR1HPGDALDH1A1POLBGAA
SCHEMBL12667945 0.82 FFAR1 (1.00) FFAR1CHRM1TDP1TTRFFAR4
SCHEMBL6924900 0.81 FFAR1 (0.57) FFAR1FFAR4
SCHEMBL8105348 0.80 TTR (0.70) FFAR1HPGDALDH1A1POLBGAA
SCHEMBL7160901 0.77 FFAR1 (0.60) FFAR1
SCHEMBL1178304 0.77 FFAR1 (0.51) FFAR1FFAR4
SCHEMBL3652668 0.76 MAPT (0.63) HPGDALDH1A1POLBGAAL3MBTL1
SCHEMBL7398838 0.76 GAA (0.59) FFAR1ALDH1A1GAAL3MBTL1FFAR4
Hydrochloric Acid SCHEMBL11346813 0.75 MAPT (0.67) HPGDALDH1A1POLBGAAL3MBTL1
SCHEMBL28927554 0.74 FFAR1 (0.69) FFAR1CHRM1FFAR4

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-0848703-B1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II NYCOMED AUSTRIA GMBH (AT) 2000-09-27 EP disclosed