SCHEMBL8523577

SCHEMBL8523577

CS(=O)(=O)Nc1cc(CO)ccc1Oc1ccc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.58
PTGS2 P35354 2/20 0.58
TTR P02766 4/20 0.58
CCR2 P41597 1/20 0.54
PTGDR Q13258 7/20 0.47
PTGDR2 Q9Y5Y4 7/20 0.47
MRGPRX4 Q96LA9 1/20 0.44
CYP2C9 P11712 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
PGR P06401 1/20 0.42
HSP90AA1 P07900 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
MAPT P10636 1/20 0.42
HSPA5 P11021 1/20 0.42
HPGD P15428 1/20 0.42
CBR1 P16152 1/20 0.42
TBXA2R P21731 1/20 0.42
SLC6A2 P23975 1/20 0.42
AGTR1 P30556 1/20 0.42

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
SCHEMBL7160901 0.85 FFAR1 (0.60) PTGS1PTGS2CCR2PTGDRPTGDR2
SCHEMBL8481368 0.84 PTGS1 (0.52) PTGS1PTGS2TTRCCR2PTGDR
SCHEMBL7161648 0.81 PTGS1 (0.52) PTGS1PTGS2CCR2PTGDRPTGDR2
SCHEMBL8524150 0.81 PTGS1 (0.54) PTGS1PTGS2TTRCCR2PTGDR
SCHEMBL8099718 0.80 PTGS1 (0.68) PTGS1PTGS2CCR2LMNAPGR
SCHEMBL7162523 0.79 PTGS1 (0.59) PTGS1PTGS2TTRCCR2PTGDR
SCHEMBL8524539 0.78 TTR (0.56) PTGS1PTGS2TTRCCR2PTGDR2
SCHEMBL8525177 0.78 PTGS1 (0.50) PTGS1PTGS2TTRCCR2PTGDR
SCHEMBL8099545 0.76 CCR2 (0.56) PTGS1PTGS2TTRCCR2PTGDR
SCHEMBL13236301 0.76 TTR (0.70) TTRMRGPRX4NR1I2LMNAPGR

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
US-6004948-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION NYCOMED AUSTRIA GMBH (AT) 1999-12-21 US disclosed