SCHEMBL4969723

SCHEMBL4969723

O=C(O)Cc1cccc(C2CCCCCC2)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.49
AKR1B1 P15121 1/20 0.44
PTPN5 P54829 4/20 0.43
DUSP3 P51452 1/20 0.43
PTPN11 Q06124 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
NAAA Q02083 1/20 0.41
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KMO O15229 1/20 0.40
PTPN2 P17706 1/20 0.39
PTGDR Q13258 3/20 0.39
PTGER2 P43116 1/20 0.39
AKR1B10 O60218 1/20 0.37
UGT1A9 O60656 1/20 0.37
TRPA1 O75762 1/20 0.37
ABCB11 O95342 1/20 0.37
MT-CO2 P00403 1/20 0.37
TTR P02766 1/20 0.37
ALB P02768 1/20 0.37

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
SCHEMBL3983073 1.00 PTGDR2 (0.49) PTGDR2AKR1B1PTPN5DUSP3PTPN11
SCHEMBL1998542 0.98 PTGDR2 (0.47) PTGDR2AKR1B1PTPN5DUSP3PTPN11
SCHEMBL2550680 0.85 PTGDR2 (0.56) PTGDR2AKR1B1NAAATHRBTDP1
SCHEMBL5226189 0.84 KDM4E (0.40) PTGDR2PTPN5NAAAPTPN2KDM4E
Hydrochloric Acid SCHEMBL11528572 0.84 PTGDR2 (0.55) PTGDR2AKR1B1NAAATHRBTDP1
SCHEMBL3633503 0.83 PTGDR2 (0.54) PTGDR2AKR1B1NAAATDP1PTGDR
SCHEMBL2916746 0.82 GABRA1 (0.53) PTGDR2PTPN5NAAAPTPN2PTGS2
SCHEMBL10772495 0.82 GABRA1 (0.53) PTGDR2PTPN5NAAAPTPN2PTGS2
SCHEMBL11392647 0.82 PTGDR2 (0.43) PTGDR2THRBKMOPTGDRPTGER2
SCHEMBL4058553 0.82 PTGDR2 (0.41) PTGDR2PTPN5NAAAKMOPTPN2

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
EP-1968980-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-09-17 EP claimed
WO-2007110782-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-10-04 WO claimed
EP-1968980-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-09-17 EP disclosed
WO-2007110782-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-10-04 WO disclosed