SCHEMBL8676445

SCHEMBL8676445

N#Cc1ccc(CCCOC(=O)c2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.47
PTGER1 P34995 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
PPIA P62937 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MAOB P27338 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
VNN1 O95497 1/20 0.40
SMPD1 P17405 1/20 0.40
MET P08581 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40

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
SCHEMBL8522725 0.87 PTGER1 (0.56) MRGPRX4PTGER1TDP1PTGER4PTGER3
SCHEMBL8675455 0.85 ESR1 (0.52) PTGER1TDP1PTGER4PTGER3PTGER2
SCHEMBL8676624 0.83 MRGPRX4 (0.48) MRGPRX4PTGER1TDP1PTGER4PTGER3
SCHEMBL8675900 0.83 TDP1 (0.48) PTGER1TDP1PTGER4PTGER3PTGER2
SCHEMBL8676387 0.82 PTGER1 (0.62) PTGER1TDP1PTGER4PTGER3PTGER2
SCHEMBL8326500 0.81 PTGER1 (0.69) MRGPRX4PTGER1PTGER4PTGER3PTGER2
SCHEMBL8676634 0.81 MTNR1B (0.57) MRGPRX4TDP1SLC6A2SLC6A3KMT2A
SCHEMBL8676443 0.80 PTGER1 (0.51) MRGPRX4PTGER1PTGER4PTGER3PTGER2
SCHEMBL8675525 0.79 PTGER1 (0.61) PTGER1TDP1PTGER4PTGER3PTGER2
SCHEMBL8677127 0.79 RAB9A (0.56) KMT2APPIACYP11B1CYP11B2

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