SCHEMBL5049449

SCHEMBL5049449

COC(=O)CCc1cccc(CN(Cc2ccc3c(c2)CCO3)S(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
CHRM5 P08912 3/20 0.41
CHRM1 P11229 3/20 0.41
FABP4 P15090 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
PTPN1 P18031 1/20 0.39
MAPT P10636 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL5048103 0.90 FABP4 (0.51) L3MBTL1FABP4RAB9ANPC1POLB
SCHEMBL5049388 0.89 TAS2R14 (0.47) CHRM5CHRM1RAB9ANPC1POLB
SCHEMBL5048210 0.86 ALDH1A1 (0.45) CHRM5CHRM1POLBALDH1A1MAPT
SCHEMBL5043233 0.84 RAB9A (0.49) CHRM5CHRM1FABP4RAB9ANPC1
SCHEMBL5133321 0.78 FABP4 (0.49) FABP4RAB9ANPC1POLBALDH1A1
SCHEMBL5047963 0.78 TDP1 (0.52) POLBALDH1A1SIRT2TDP1PTPN1
SCHEMBL5042984 0.77 TAS2R14 (0.56) L3MBTL1ALDH1A1HTTTDP1MAPT
SCHEMBL5043434 0.76 NR3C1 (0.55) TDP1PTPN1
SCHEMBL5043143 0.75 KMT2A (0.51) FABP4ALDH1A1MAPT
SCHEMBL5047926 0.74 NPC1 (0.46) L3MBTL1RAB9ANPC1ALDH1A1MAPT

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