SCHEMBL7640000

SCHEMBL7640000

O=C(O)CCc1cccc(CN(C(C(=O)c2ccccc2)C2=COCO2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.36
TBXA2R P21731 1/20 0.36
TAS2R14 Q9NYV8 3/20 0.36
HSD11B1 P28845 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL7640005 0.78 PPARG (0.41) PPARGTBXA2RHSD11B1ALDH1A1LMNA
SCHEMBL5048109 0.69 TAS2R14 (0.69) TAS2R14PTGESALOX5ALDH1A1LMNA
SCHEMBL7639994 0.68 PPARG (0.39) PPARGTBXA2RALDH1A1MAPT
SCHEMBL6059002 0.67 ALDH1A1 (0.60) TAS2R14PTGESALOX5ALDH1A1LMNA
SCHEMBL6059008 0.67 MMP2 (0.33) PPARGTBXA2RTAS2R14PTGESALOX5
SCHEMBL5043193 0.65 TAS2R14 (0.56) TAS2R14PTGESALOX5MEN1KMT2A
SCHEMBL5043627 0.65 TAS2R14 (0.53) TAS2R14MEN1KMT2A
SCHEMBL5133321 0.65 FABP4 (0.49) TAS2R14ALDH1A1LMNAMEN1HTT
SCHEMBL7640003 0.65 TAS2R14 (0.43) TAS2R14HSD11B1MEN1HTTKMT2A
SCHEMBL5046836 0.63 TAS2R14 (0.53) TAS2R14MEN1KMT2A

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-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