SCHEMBL8319879

SCHEMBL8319879

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.58
PTGER4 P35408 2/20 0.58
PTGER3 P43115 2/20 0.58
PTGER2 P43116 2/20 0.58
MTNR1B P49286 4/20 0.51
MTNR1A P48039 5/20 0.50
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.47
CYP4A11 Q02928 2/20 0.46
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL8325792 0.89 PTGER1 (0.60) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL9058140 0.89 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8325723 0.88 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8321834 0.88 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8319855 0.88 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8324157 0.87 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL9067511 0.87 PTGER1 (0.58) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8318734 0.87 PTGER1 (0.58) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8323265 0.86 PTGER1 (0.55) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8322717 0.86 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2MAPT

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