SCHEMBL8327593

SCHEMBL8327593

COC(=O)c1cccc(CCCc2ccccc2OCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.62
PTGER3 P43115 3/20 0.62
PTGER2 P43116 3/20 0.62
PTGER1 P34995 2/20 0.62
CYP4F2 P78329 2/20 0.57
CYP4A11 Q02928 2/20 0.57
ABCB1 P08183 3/20 0.54
HTR1A P08908 3/20 0.54
DRD2 P14416 3/20 0.54
PPIA P62937 1/20 0.53
MRGPRX4 Q96LA9 5/20 0.52
MTNR1B P49286 2/20 0.52
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.49
MTNR1A P48039 1/20 0.48

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
SCHEMBL8322717 0.88 PTGER1 (0.77) PTGER4PTGER3PTGER2PTGER1CYP4F2
SCHEMBL8318952 0.88 PTGER1 (0.76) PTGER4PTGER3PTGER2PTGER1ABCB1
SCHEMBL8324233 0.87 PTGER4 (0.61) PTGER4PTGER3PTGER2PTGER1ABCB1
SCHEMBL9064386 0.86 PTGER1 (0.73) PTGER4PTGER3PTGER2PTGER1CYP4F2
SCHEMBL8327569 0.85 PTGER1 (0.73) PTGER4PTGER3PTGER2PTGER1CYP4F2
SCHEMBL8320689 0.83 PTGER1 (0.62) PTGER4PTGER3PTGER2PTGER1CYP4F2
SCHEMBL8324057 0.83 PTGER4 (0.59) PTGER4PTGER3PTGER2PTGER1ABCB1
SCHEMBL8322308 0.83 PTGER4 (0.59) PTGER4PTGER3PTGER2PTGER1ABCB1
SCHEMBL8328278 0.82 SMPD1 (0.56) PTGER4PTGER3PTGER2PTGER1ABCB1
SCHEMBL8323467 0.82 PTGER4 (0.58) PTGER4PTGER3PTGER2PTGER1ABCB1

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 4 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
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed