SCHEMBL27892012

SCHEMBL27892012

[O]C(=O)Cc1cccc(C2CCCC2)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
NAAA Q02083 1/20 0.40
PTPN5 P54829 4/20 0.38
PTPN2 P17706 1/20 0.37
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TAS1R3 Q7RTX0 4/20 0.35
TAS1R1 Q7RTX1 4/20 0.35
TAS1R2 Q8TE23 4/20 0.35
KMO O15229 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL1998542 0.87 PTGDR2 (0.47) PTGDR2NAAAPTPN5PTPN2KMO
SCHEMBL3983073 0.86 PTGDR2 (0.49) PTGDR2NAAAPTPN5PTPN2KDM4E
SCHEMBL4969723 0.86 PTGDR2 (0.49) PTGDR2NAAAPTPN5PTPN2KDM4E
SCHEMBL5226189 0.86 KDM4E (0.40) PTGDR2NAAAPTPN5PTPN2HDAC4
SCHEMBL8022072 0.81 GABRA1 (0.55) PTGDR2NAAAPTPN5PTPN2HDAC4
SCHEMBL11598412 0.81 PTPN5 (0.39) PTGDR2NAAAPTPN5PTPN2HDAC4
SCHEMBL10772495 0.80 GABRA1 (0.53) PTGDR2NAAAPTPN5PTPN2HDAC4
SCHEMBL2916746 0.80 GABRA1 (0.53) PTGDR2NAAAPTPN5PTPN2HDAC4
SCHEMBL4058553 0.80 PTGDR2 (0.41) PTGDR2NAAAPTPN5PTPN2HDAC4
SCHEMBL27728789 0.78 PTGDR2 (0.40) PTGDR2NAAAPTPN5PTPN2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102939280-B Crystal form of glycopyrronium chloride CHIESI FARMA SPA 2014-11-19 CN disclosed
CN-102939280-A Crystal form of glycopyrronium chloride CHIESI FARMA SPA 2013-02-20 CN disclosed