SCHEMBL8319729

SCHEMBL8319729

COC(=O)c1ccc(CCc2ccccc2OCc2ccccc2)cc1O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 14/20 0.56
HTR1A P08908 3/20 0.56
DRD2 P14416 3/20 0.56
ABCG2 Q9UNQ0 1/20 0.53
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
PTGER1 P34995 1/20 0.49
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49
MAOB P27338 1/20 0.47

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 0.93 PTGER4 (0.59) ABCB1HTR1ADRD2ABCG2LMNA
SCHEMBL8321603 0.89 PTGER1 (0.54) ABCB1HTR1ADRD2ABCG2LMNA
SCHEMBL8325289 0.88 ABCB1 (0.62) ABCB1HTR1ADRD2ABCG2LMNA
SCHEMBL8322935 0.88 CCR5 (0.49) LMNAHPGDPTGER1
SCHEMBL8324955 0.88 MTNR1A (0.59) ABCB1HTR1ADRD2MAOB
SCHEMBL8318934 0.88 HTR1A (0.60) ABCB1HTR1ADRD2ABCG2PTGER1
SCHEMBL6258777 0.86 HSP90AA1 (0.50) LMNAHPGD
SCHEMBL8327489 0.85 LMNA (0.43) ABCB1HTR1ADRD2ABCG2LMNA
SCHEMBL8409730 0.83 HTR1A (0.60) ABCB1HTR1ADRD2ABCG2PTGER1
SCHEMBL8322308 0.82 PTGER4 (0.59) ABCB1HTR1ADRD2ABCG2LMNA

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