SCHEMBL8675593

SCHEMBL8675593

CSc1ccc(OCc2ccccc2)c(C=Cc2cnc(C(=O)O)cn2)c1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.76
PTGER1 P34995 7/20 0.45
PTGER4 P35408 3/20 0.41
PTGER2 P43116 3/20 0.41
PTGER3 P43115 2/20 0.41
P4HTM Q9NXG6 1/20 0.41
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
APP P05067 2/20 0.38
CYP1A2 P05177 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8326477 0.91 GCK (0.69) GCKPTGER1PTGER4PTGER2PTGER3
SCHEMBL2642055 0.87 GCK (1.00) GCKPTGER1PTGER4PTGER2PTGER3
SCHEMBL2642100 0.87 GCK (1.00) GCKPTGER1PTGER4PTGER2PTGER3
SCHEMBL8675421 0.84 GCK (0.54) GCKPTGER1PTGER4PTGER2PTGER3
SCHEMBL8675423 0.84 GCK (0.54) GCKPTGER1PTGER4PTGER2PTGER3
SCHEMBL8676537 0.84 PTGER1 (0.59) GCKPTGER1PTGER4PTGER2PTGER3
SCHEMBL8676532 0.84 PTGER1 (0.59) GCKPTGER1PTGER4PTGER2PTGER3
SCHEMBL8325873 0.83 GCK (0.53) GCKPTGER1PTGER4PTGER2PTGER3
SCHEMBL8325877 0.83 GCK (0.53) GCKPTGER1PTGER4PTGER2PTGER3
SCHEMBL14519324 0.80 GCK (0.79) GCKPTGER1PTGER4PTGER2PTGER3

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