SCHEMBL8322308

SCHEMBL8322308

COC(=O)c1ccc(CCCc2ccccc2OCc2ccccc2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.59
PTGER3 P43115 3/20 0.59
PTGER2 P43116 3/20 0.59
PTGER1 P34995 2/20 0.59
MTNR1A P48039 4/20 0.55
MTNR1B P49286 3/20 0.55
ABCB1 P08183 8/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
NPY1R P25929 1/20 0.51
HTT P42858 1/20 0.51
NPY2R P49146 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
APP P05067 1/20 0.50

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
SCHEMBL8325289 0.93 ABCB1 (0.62) MTNR1AMTNR1BABCB1ABCG2HTR1A
SCHEMBL8323025 0.91 PTGER4 (0.65) PTGER4PTGER3PTGER2PTGER1MTNR1A
SCHEMBL8324057 0.89 PTGER4 (0.59) PTGER4PTGER3PTGER2PTGER1MTNR1A
SCHEMBL8323467 0.88 PTGER4 (0.58) PTGER4PTGER3PTGER2PTGER1MTNR1A
SCHEMBL8328205 0.85 PTGER4 (0.55) PTGER4PTGER3PTGER2PTGER1MTNR1A
SCHEMBL8318400 0.84 ABCB1 (0.65) PTGER4PTGER3PTGER2PTGER1ABCB1
SCHEMBL8327593 0.83 PTGER4 (0.62) PTGER4PTGER3PTGER2PTGER1MTNR1A
SCHEMBL8322717 0.82 PTGER1 (0.77) PTGER4PTGER3PTGER2PTGER1ABCB1
SCHEMBL8319729 0.82 ABCB1 (0.56) PTGER4PTGER3PTGER2PTGER1ABCB1
SCHEMBL8324233 0.82 PTGER4 (0.61) PTGER4PTGER3PTGER2PTGER1MTNR1A

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