SCHEMBL725913

SCHEMBL725913

CC(C)N(c1ccccc1CCCc1cc(C(=O)O)ccc1OCc1ccccc1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.58
PTGER4 P35408 4/20 0.58
PTGER3 P43115 4/20 0.58
PTGER2 P43116 4/20 0.58
MTNR1B P49286 2/20 0.46
MTNR1A P48039 3/20 0.45
MRGPRX4 Q96LA9 4/20 0.43
RXRA P19793 2/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 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 SCHEMBL725095 0.99 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL724228 0.86 PTGER1 (0.55) PTGER1PTGER4PTGER3PTGER2MTNR1B
Hydrochloric Acid SCHEMBL723195 0.85 PTGER1 (0.54) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL19212487 0.85 PTGER1 (0.40) PTGER1PTGER4PTGER3PTGER2LTB4R
SCHEMBL7758334 0.85 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL6238281 0.84 PTGER1 (0.49) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8675230 0.81 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL10676508 0.81 PTGER1 (0.61) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL542660 0.81 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2MRGPRX4
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 4 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