SCHEMBL6059002

SCHEMBL6059002

O=C(O)CCc1cccc(CN(Cc2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
TAS2R14 Q9NYV8 3/20 0.60
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
PTGES O14684 1/20 0.50
ALOX5 P09917 1/20 0.50
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
CA9 Q16790 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5048109 0.94 TAS2R14 (0.69) ALDH1A1TAS2R14MAPTLMNAPTGES
SCHEMBL5042984 0.90 TAS2R14 (0.56) ALDH1A1TAS2R14MAPTLMNAGAA
SCHEMBL5133321 0.89 FABP4 (0.49) ALDH1A1TAS2R14MAPTLMNAGAA
SCHEMBL5048105 0.86 ALDH1A1 (0.49) ALDH1A1TAS2R14MAPTLMNAGAA
SCHEMBL5043270 0.86 TAS2R14 (0.64) ALDH1A1TAS2R14MAPTPTGESALOX5
SCHEMBL5048100 0.84 TAS2R14 (0.64) ALDH1A1TAS2R14MAPTLMNAPTGES
SCHEMBL5043193 0.82 TAS2R14 (0.56) TAS2R14PTGESALOX5CA12CA1
SCHEMBL14569572 0.82 PTGDR2 (0.52) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL5043143 0.81 KMT2A (0.51) ALDH1A1TAS2R14MAPTGAANPSR1
SCHEMBL14558104 0.81 PTGDR2 (0.49) ALDH1A1MAPTLMNAGAAHPGD

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