SCHEMBL8676535

SCHEMBL8676535

N#Cc1c(CCc2cc(Cl)ccc2OCc2ccccc2)cc[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 13/20 0.43
STAT3 P40763 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9360278 0.80 HTR1A (0.43) PTGER1MRGPRX4
SCHEMBL8318509 0.78 MRGPRX4 (0.43) PTGER1MRGPRX4
SCHEMBL8675658 0.77 HTR1A (0.49) PTGER1STAT3MRGPRX4KMT2A
SCHEMBL8323718 0.76 MRGPRX4 (0.53) PTGER1MRGPRX4KMT2A
SCHEMBL8678841 0.75 PTGER1 (0.47) PTGER1MRGPRX4
SCHEMBL4720248 0.72 PTGER1 (0.52) PTGER1STAT3MRGPRX4
SCHEMBL693828 0.71 PTGER1 (0.53) PTGER1STAT3KMT2A
SCHEMBL8676539 0.71 PTGER1 (0.44) PTGER1MRGPRX4
SCHEMBL8677078 0.71 PTGER1 (0.44) PTGER1
SCHEMBL9356557 0.71 CYP3A4 (0.44) KMT2A

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