SCHEMBL8105348

SCHEMBL8105348

Nc1cc(CO)ccc1Oc1ccc(Cl)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 6/20 0.70
MRGPRX4 Q96LA9 1/20 0.52
HPGD P15428 3/20 0.51
MAPT P10636 3/20 0.51
NR1I2 O75469 1/20 0.51
LMNA P02545 1/20 0.51
PGR P06401 1/20 0.51
HSP90AA1 P07900 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
HSPA5 P11021 1/20 0.51
CBR1 P16152 1/20 0.51
TBXA2R P21731 1/20 0.51
SLC6A2 P23975 1/20 0.51
AGTR1 P30556 1/20 0.51
SLC6A3 Q01959 1/20 0.51
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP2C9 P11712 3/20 0.47

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
SCHEMBL3652668 0.83 MAPT (0.63) TTRHPGDMAPTNR1I2LMNA
SCHEMBL13236278 0.83 TTR (1.00) TTRMRGPRX4HPGDMAPTNR1I2
Hydrochloric Acid SCHEMBL11346813 0.81 MAPT (0.67) TTRHPGDMAPTNR1I2LMNA
SCHEMBL13236301 0.81 TTR (0.70) TTRMRGPRX4HPGDMAPTNR1I2
SCHEMBL8104954 0.80 FFAR1 (0.70) TTRMRGPRX4HPGDMAPTNR1I2
SCHEMBL13264608 0.80 TTR (0.76) TTRMRGPRX4HPGDMAPTNR1I2
SCHEMBL11294313 0.78 TTR (0.55) TTRHPGDMAPTNR1I2LMNA
SCHEMBL8480028 0.77 MAPT (0.54) TTRHPGDMAPTNR1I2LMNA
SCHEMBL2968982 0.76 L3MBTL1 (0.62) TTRMRGPRX4HPGDMAPTLMNA
SCHEMBL1340223 0.76 SLC6A2 (0.51) TTRHPGDMAPTNR1I2LMNA

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-0848703-B1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II NYCOMED AUSTRIA GMBH (AT) 2000-09-27 EP disclosed
US-6004948-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION NYCOMED AUSTRIA GMBH (AT) 1999-12-21 US disclosed