SCHEMBL8325873

SCHEMBL8325873

CS(=O)(=O)c1ccc(OCc2ccccc2)c(/C=C/c2cnc(C(=O)O)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.53
PTGER1 P34995 7/20 0.46
SLC6A9 P48067 1/20 0.42
PTGER4 P35408 2/20 0.41
PTGER3 P43115 2/20 0.41
PTGER2 P43116 2/20 0.41
P4HTM Q9NXG6 1/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
CYP19A1 P11511 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL8325877 1.00 GCK (0.53) GCKPTGER1SLC6A9PTGER4PTGER3
SCHEMBL8675421 0.83 GCK (0.54) GCKPTGER1PTGER4PTGER3PTGER2
SCHEMBL8675423 0.83 GCK (0.54) GCKPTGER1PTGER4PTGER3PTGER2
SCHEMBL8675593 0.83 GCK (0.76) GCKPTGER1PTGER4PTGER3PTGER2
SCHEMBL8676537 0.83 PTGER1 (0.59) GCKPTGER1PTGER4PTGER3PTGER2
SCHEMBL8676532 0.83 PTGER1 (0.59) GCKPTGER1PTGER4PTGER3PTGER2
SCHEMBL8323098 0.76 LMNA (0.54) GCKPTGER1LMNAALDH1A1KDM4E
SCHEMBL8323106 0.76 LMNA (0.54) GCKPTGER1LMNAALDH1A1KDM4E
SCHEMBL8161041 0.75 PTGER1 (0.48) PTGER1LMNAALDH1A1KDM4EPTGDR2
SCHEMBL8320330 0.75 PTGER4 (0.54) GCKPTGER1PTGER4PTGER3PTGER2

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
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed