SCHEMBL5048100

SCHEMBL5048100

COC(=O)CCc1cccc(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.64
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MEP1B Q16820 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.49
BMP1 P13497 2/20 0.49
PKM P14618 1/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSD17B10 Q99714 1/20 0.47
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47

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
SCHEMBL5042984 0.94 TAS2R14 (0.56) TAS2R14ALDH1A1MAPTHPGDNPSR1
SCHEMBL5047945 0.92 TAS2R14 (0.58) TAS2R14ALDH1A1MAPTNPSR1KMT2A
SCHEMBL5048109 0.90 TAS2R14 (0.69) TAS2R14ALDH1A1MAPTHPGDNPSR1
SCHEMBL5049388 0.86 TAS2R14 (0.47) TAS2R14ALDH1A1MAPTTSHRLMNA
SCHEMBL6059002 0.84 ALDH1A1 (0.60) TAS2R14ALDH1A1MAPTHPGDNPSR1
SCHEMBL5043544 0.83 TAS2R14 (0.57) TAS2R14MEP1BTDP1PTGES
SCHEMBL5043270 0.82 TAS2R14 (0.64) TAS2R14ALDH1A1MAPTKMT2AMEN1
SCHEMBL13399223 0.82 TAS2R14 (0.60) TAS2R14ALDH1A1NPSR1KMT2AMEN1
SCHEMBL5043402 0.81 PTGER2 (0.56) TAS2R14BMP1TDP1
SCHEMBL5046594 0.81 TAS2R14 (0.54) TAS2R14TDP1PTGES

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