SCHEMBL8676624

SCHEMBL8676624

N#Cc1cccc(C(=O)OCCc2ccccc2OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.48
PPIA P62937 1/20 0.48
PTGER1 P34995 3/20 0.47
PTGER4 P35408 2/20 0.47
PTGER3 P43115 2/20 0.47
PTGER2 P43116 2/20 0.47
HTR1A P08908 2/20 0.46
DRD2 P14416 2/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
VNN1 O95497 1/20 0.43
ABCB1 P08183 1/20 0.43
FOLH1 Q04609 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
NR4A2 P43354 1/20 0.42
SGMS2 Q8NHU3 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8674872 0.86 NPC1 (0.54) MRGPRX4PTGER1PTGER4PTGER3PTGER2
SCHEMBL8677032 0.84 ABCB1 (0.63) MRGPRX4HTR1ADRD2ABCB1KMT2A
SCHEMBL8676527 0.84 PTGER1 (0.49) MRGPRX4PPIAPTGER1PTGER4PTGER3
SCHEMBL8677218 0.84 PTGER1 (0.49) MRGPRX4PPIAPTGER1PTGER4PTGER3
SCHEMBL8676445 0.83 MRGPRX4 (0.47) MRGPRX4PPIAPTGER1PTGER4PTGER3
SCHEMBL6330377 0.82 TDP1 (0.63) VNN1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL8676387 0.81 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8675525 0.80 PTGER1 (0.61) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8676622 0.80 RAB9A (0.68) PPIAKMT2A
SCHEMBL8679134 0.77 MEN1 (0.50) PPIAPTGER1KMT2ATDP1

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