SCHEMBL8322728

SCHEMBL8322728

COC(=O)c1ccc(CCc2ccccc2OCc2ccccc2)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
HPGD P15428 2/20 0.61
PTGER1 P34995 1/20 0.53
PTGER4 P35408 1/20 0.53
PTGER3 P43115 1/20 0.53
PTGER2 P43116 1/20 0.53
HTR1A P08908 3/20 0.52
DRD2 P14416 3/20 0.52
ABCB1 P08183 8/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
PPIA P62937 1/20 0.47
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 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
SCHEMBL8322616 0.89 ABCB1 (0.52) LMNAHPGDPTGER1PTGER4PTGER3
SCHEMBL8328278 0.89 SMPD1 (0.56) LMNAHPGDPTGER1PTGER4PTGER3
SCHEMBL8323831 0.87 PTGER1 (0.52) LMNAHPGDPTGER1PTGER4PTGER3
SCHEMBL8324369 0.87 PTGER1 (0.52) LMNAHPGDPTGER1PTGER4PTGER3
SCHEMBL8406671 0.85 HTR1A (0.66) LMNAHPGDPTGER1PTGER4PTGER3
SCHEMBL8324233 0.85 PTGER4 (0.61) LMNAHPGDPTGER1PTGER4PTGER3
SCHEMBL8318749 0.84 BRD4 (0.57) LMNAHPGDPTGER1PTGER4PTGER3
SCHEMBL8322427 0.84 PTGER1 (0.49) LMNAHPGDPTGER1PTGER4PTGER3
SCHEMBL1782909 0.83 HPGD (0.72) LMNAHPGDL3MBTL1MAPTRAB9A
SCHEMBL8408175 0.83 HPGD (0.56) LMNAHPGDPTGER1PTGER4PTGER3

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