SCHEMBL8328205

SCHEMBL8328205

COC(=O)c1ccc(CCCc2ccccc2OCc2ccccc2)cc1C#N

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.55
PTGER3 P43115 3/20 0.55
PTGER2 P43116 3/20 0.55
PTGER1 P34995 2/20 0.55
FFAR4 Q5NUL3 2/20 0.45
ABCB1 P08183 5/20 0.45
HTR1A P08908 2/20 0.45
DRD2 P14416 2/20 0.45
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
ABCG2 Q9UNQ0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MGLL Q99685 1/20 0.42
FFAR1 O14842 1/20 0.41

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
SCHEMBL8324057 0.85 PTGER4 (0.59) PTGER4PTGER3PTGER2PTGER1FFAR4
SCHEMBL8322308 0.85 PTGER4 (0.59) PTGER4PTGER3PTGER2PTGER1FFAR4
SCHEMBL8323467 0.84 PTGER4 (0.58) PTGER4PTGER3PTGER2PTGER1FFAR4
SCHEMBL8327593 0.79 PTGER4 (0.62) PTGER4PTGER3PTGER2PTGER1ABCB1
SCHEMBL8322717 0.79 PTGER1 (0.77) PTGER4PTGER3PTGER2PTGER1ABCB1
SCHEMBL8323025 0.78 PTGER4 (0.65) PTGER4PTGER3PTGER2PTGER1ABCB1
SCHEMBL8319729 0.78 ABCB1 (0.56) PTGER4PTGER3PTGER2PTGER1FFAR4
SCHEMBL8325289 0.78 ABCB1 (0.62) FFAR4ABCB1HTR1ADRD2MTNR1A
SCHEMBL8322427 0.78 PTGER1 (0.49) PTGER4PTGER3PTGER2PTGER1ABCB1
SCHEMBL24379274 0.78 MAOB (0.62) KDM4EALDH1A1HPGDCRHBPCRHR2

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 2 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
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed