SCHEMBL8325792

SCHEMBL8325792

COC(=O)c1ccc(CCCc2cc(O)ccc2OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.60
PTGER4 P35408 2/20 0.60
PTGER3 P43115 2/20 0.60
PTGER2 P43116 2/20 0.60
HPGD P15428 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.56
ALOX12 P18054 1/20 0.56
CKS1B P61024 1/20 0.56
SKP2 Q13309 1/20 0.56
HIF1A Q16665 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MTNR1B P49286 4/20 0.53
LMNA P02545 2/20 0.52
MTNR1A P48039 5/20 0.52

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
SCHEMBL8319855 0.90 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2HPGD
SCHEMBL8325723 0.90 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2HPGD
SCHEMBL8321834 0.90 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2HPGD
SCHEMBL8319879 0.89 PTGER1 (0.58) PTGER1PTGER4PTGER3PTGER2HPGD
SCHEMBL8318734 0.89 PTGER1 (0.58) PTGER1PTGER4PTGER3PTGER2CYP1A2
SCHEMBL9067511 0.89 PTGER1 (0.58) PTGER1PTGER4PTGER3PTGER2HPGD
SCHEMBL8321346 0.88 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2HPGD
SCHEMBL8322717 0.88 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2HPGD
SCHEMBL8324226 0.87 SMPD1 (0.56) PTGER1PTGER4PTGER3PTGER2HPGD
SCHEMBL8321962 0.87 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2HPGD

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