SCHEMBL8326786

SCHEMBL8326786

COC(=O)c1ccc(CCc2cc(S(C)(=O)=O)ccc2OCc2ccccc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
MTNR1B P49286 2/20 0.42
SMPD1 P17405 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PTGS2 P35354 1/20 0.41
MTNR1A P48039 3/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
SLC6A9 P48067 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 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
SCHEMBL8675628 0.91 PTGER1 (0.48) PTGER1SLC6A9PTGER4PTGER3PTGER2
SCHEMBL8324992 0.85 CCR5 (0.48) PTGER1LMNAHPGDSMPD1HDAC1
SCHEMBL8325607 0.85 PTGER1 (0.52) PTGER1LMNAHPGDMAPTKMT2A
SCHEMBL8327306 0.83 GCK (0.53) PTGER1LMNAHPGDMTNR1BSMPD1
SCHEMBL8166853 0.79 STAT3 (0.57) PTGER1LMNAHPGDMAPTKMT2A
SCHEMBL8323253 0.79 PTGER4 (0.59) PTGER1LMNAHPGDMTNR1BMTNR1A
SCHEMBL8678933 0.79 PTGER1 (0.42) PTGER1LMNAHPGDMTNR1BSMPD1
SCHEMBL8327489 0.78 LMNA (0.43) PTGER1LMNAHPGDMTNR1BMTNR1A
SCHEMBL8409906 0.77 CCR6 (0.44) PTGER1LMNASMPD1HDAC1HDAC8
SCHEMBL8408175 0.77 HPGD (0.56) PTGER1LMNAHPGDMTNR1BSMPD1

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 3 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
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed