SCHEMBL724228

SCHEMBL724228

CC(C)N(c1cccc(CCCc2cc(C(=O)O)ccc2OCc2ccccc2)c1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.55
PTGER4 P35408 2/20 0.55
PTGER3 P43115 2/20 0.55
PTGER2 P43116 2/20 0.55
MTNR1B P49286 2/20 0.44
MRGPRX4 Q96LA9 9/20 0.43
MTNR1A P48039 2/20 0.43
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
NR4A2 P43354 1/20 0.42

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
Hydrochloric Acid SCHEMBL723195 0.99 PTGER1 (0.54) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL1901763 0.91 PTGER1 (0.47) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL724700 0.87 ADRB2 (0.39) PTGER1PTGER4PTGER3PTGER2LTB4R
SCHEMBL725913 0.86 PTGER1 (0.58) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL7758338 0.86 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL722894 0.85 PTGER1 (0.44) PTGER1PTGER4PTGER3PTGER2MTNR1B
Hydrochloric Acid SCHEMBL725095 0.85 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL11299423 0.84 MAOA (0.44) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL6473875 0.83 GRIN2D (0.41) PTGER1PTGER4PTGER3PTGER2
SCHEMBL8321828 0.80 PTGER1 (0.70) PTGER1PTGER4PTGER3PTGER2MTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012098560-A2 PROCESS FOR THE PREPARATION OF MUSCARINIC RECEPTOR ANTAGONIST MSN LABORATORIES LIMITED (IN) 2012-07-26 WO claimed
WO-2012025941-A2 PROCESSES FOR THE PREPARATION OF FESOTERODINE CADILA HEALTHCARE LIMITED (IN) 2012-03-01 WO claimed
WO-2012098560-A2 PROCESS FOR THE PREPARATION OF MUSCARINIC RECEPTOR ANTAGONIST MSN LABORATORIES LIMITED (IN) 2012-07-26 WO disclosed
WO-2012025941-A2 PROCESSES FOR THE PREPARATION OF FESOTERODINE CADILA HEALTHCARE LIMITED (IN) 2012-03-01 WO disclosed
WO-2011141932-A2 PROCESS FOR PREPARATION OF PHENOLIC MONOESTERS OF HYDROXYMETHYL PHENOLS INTAS PHARMACEUTICALS LIMITED (IN) 2011-11-17 WO disclosed
WO-2009037569-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF FESOTERODINE ACTAVIS GROUP PTC EHF (IS) 2009-03-26 WO disclosed
EP-2029523-A1 ACCELERATED SYNTHESIS OF SUBSTITUTED HYDROXYMETHYL PHENOLS Schwarz Pharma Ltd. (IE) 2009-03-04 EP disclosed
EP-1940774-A1 NEW SYNTHESIS OF SUBSTITUTED HYDROXYMETHYL PHENOLS Schwarz Pharma Ltd. (IE) 2008-07-09 EP disclosed
WO-2007140965-A1 ACCELERATED SYNTHESIS OF SUBSTITUTED HYDROXYMETHYL PHENOLS SCHWARZ PHARMA LTD. (IE) 2007-12-13 WO disclosed
WO-2007137799-A1 NEW SYNTHESIS OF SUBSTITUTED HYDROXYMETHYL PHENOLS SCHWARZ PHARMA LTD. (IE) 2007-12-06 WO disclosed