SCHEMBL8324638

SCHEMBL8324638

N#Cc1ccc(OCc2ccccc2)c(CCc2ccc(C(=O)O)c(=O)[nH]2)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.44
PTGER1 P34995 1/20 0.44
FOLH1 Q04609 1/20 0.41
TRPM4 Q8TD43 1/20 0.40
XDH P47989 1/20 0.39
MAOB P27338 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
SCHEMBL8324470 0.85 PTGER1 (0.48) PTGER1FOLH1
SCHEMBL8326795 0.84 HTR1A (0.54) PTGER1FOLH1
SCHEMBL8322759 0.81 PPIA (0.39) MRGPRX4PTGER1
SCHEMBL8322879 0.79 MRGPRX4 (0.38) MRGPRX4PTGER1
SCHEMBL8678841 0.79 PTGER1 (0.47) MRGPRX4PTGER1FOLH1XDHMAOB
SCHEMBL8409660 0.78 HTR1A (0.59) MRGPRX4PTGER1MAOB
SCHEMBL8409836 0.78 MRGPRX4 (0.56) MRGPRX4PTGER1FOLH1
SCHEMBL9057884 0.77 CCR5 (0.42) PTGER1
SCHEMBL1647357 0.77 FOLH1 (0.62) MRGPRX4PTGER1FOLH1XDHMAOB
SCHEMBL8318509 0.76 MRGPRX4 (0.43) MRGPRX4PTGER1XDHMAOB

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
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed