SCHEMBL5042984

SCHEMBL5042984

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 5/20 0.56
TSHR P16473 1/20 0.56
ALDH1A1 P00352 7/20 0.53
LMNA P02545 4/20 0.50
MAPT P10636 4/20 0.50
GAA P10253 2/20 0.50
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 2/20 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
SCHEMBL5048100 0.94 TAS2R14 (0.64) TAS2R14TSHRALDH1A1LMNAMAPT
SCHEMBL6059002 0.90 ALDH1A1 (0.60) TAS2R14ALDH1A1LMNAMAPTGAA
SCHEMBL5049388 0.90 TAS2R14 (0.47) TAS2R14TSHRALDH1A1LMNAMAPT
SCHEMBL5047926 0.86 NPC1 (0.46) TAS2R14TSHRALDH1A1LMNAMAPT
SCHEMBL5047945 0.86 TAS2R14 (0.58) TAS2R14ALDH1A1LMNAMAPTHTT
SCHEMBL5048109 0.84 TAS2R14 (0.69) TAS2R14ALDH1A1LMNAMAPTPTGES
SCHEMBL5043544 0.83 TAS2R14 (0.57) TAS2R14PTGESTDP1
SCHEMBL5048210 0.82 ALDH1A1 (0.45) TAS2R14ALDH1A1LMNAMAPTNPSR1
SCHEMBL5046594 0.81 TAS2R14 (0.54) TAS2R14PTGESTDP1
SCHEMBL5043402 0.81 PTGER2 (0.56) TAS2R14TDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442702-B2 Treatment of bone disorders; carboxy derivatives PFIZER INC. (US) 2008-10-28 US disclosed
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
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO disclosed