SCHEMBL6059008

SCHEMBL6059008

O=C(O)CCc1cccc(CN(C(C2=CC=CCC2)C2=COC=CO2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 1/20 0.33
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
HTT P42858 1/20 0.32
PPARG P37231 1/20 0.31
TBXA2R P21731 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TAS2R14 Q9NYV8 1/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL5042987 0.92 TDP1 (0.35) MMP2MMP9MMP8MMP13HTT
SCHEMBL5048106 0.89 PTGER2 (0.33)
SCHEMBL5047931 0.81 EP300 (0.33)
SCHEMBL6059404 0.76 FFAR1 (0.33) PPARGTBXA2R
SCHEMBL5048122 0.69 SIRT2 (0.32)
SCHEMBL7640000 0.67 PPARG (0.36) PTGESALOX5HTTPPARGTBXA2R
SCHEMBL5725452 0.64 PTGER4 (0.30)
SCHEMBL5043193 0.64 TAS2R14 (0.56) PTGESALOX5TAS2R14
SCHEMBL5043627 0.63 TAS2R14 (0.53) TAS2R14
SCHEMBL5047891 0.61 PTGER2 (0.52) PTGESALOX5HTTALDH1A1TAS2R14

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-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP disclosed
US-6498172-B1 (3-(((4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO)-METHYL) -PHENOXY)-ACETIC ACID OR SALT; TREATING SUCH AS OSTEOPOROSIS PFIZER INC. 2002-12-24 US disclosed