SCHEMBL8675466

SCHEMBL8675466

N#Cc1ccc(C=CCc2ccccc2C(=O)O)c(OCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.46
PTGER2 P43116 7/20 0.46
PTGER3 P43115 6/20 0.46
PTGER1 P34995 5/20 0.46
MRGPRX4 Q96LA9 3/20 0.46
HDAC8 Q9BY41 1/20 0.41
MAOB P27338 1/20 0.40
FOLH1 Q04609 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPIA P62937 1/20 0.39
TRPM4 Q8TD43 1/20 0.39

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
SCHEMBL8679046 0.88 PTGER4 (0.48) PTGER4PTGER2PTGER3PTGER1MRGPRX4
SCHEMBL8324662 0.84 MRGPRX4 (0.49) PTGER4PTGER2PTGER3PTGER1MRGPRX4
SCHEMBL8324660 0.84 MRGPRX4 (0.49) PTGER4PTGER2PTGER3PTGER1MRGPRX4
SCHEMBL8675824 0.84 PTGER1 (0.48) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL6072389 0.80 PTGER4 (0.62) PTGER4PTGER2PTGER3PTGER1MRGPRX4
SCHEMBL6072384 0.80 PTGER4 (0.62) PTGER4PTGER2PTGER3PTGER1MRGPRX4
SCHEMBL8676443 0.78 PTGER1 (0.51) PTGER4PTGER2PTGER3PTGER1MRGPRX4
SCHEMBL8675468 0.78 MRGPRX4 (0.47) PTGER4PTGER2PTGER3PTGER1MRGPRX4
SCHEMBL8325869 0.77 MRGPRX4 (0.48) PTGER4PTGER2PTGER3PTGER1MRGPRX4
SCHEMBL8325865 0.77 MRGPRX4 (0.48) PTGER4PTGER2PTGER3PTGER1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed