SCHEMBL8324027

SCHEMBL8324027

COC(=O)c1ccc(CCCc2c(OC)cccc2OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
RAB9A P51151 2/20 0.59
LMNA P02545 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
PTGER1 P34995 1/20 0.55
PTGER4 P35408 1/20 0.55
PTGER3 P43115 1/20 0.55
PTGER2 P43116 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
RXRA P19793 2/20 0.54
ATM Q13315 1/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
NPC1 O15118 1/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
CYP1A2 P05177 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
SCHEMBL8318954 0.96 LMNA (0.63) MAPTRAB9ALMNAL3MBTL1PTGER1
SCHEMBL8325686 0.90 LMNA (0.58) MAPTRAB9ALMNAL3MBTL1PTGER1
SCHEMBL8322717 0.84 PTGER1 (0.77) MAPTRAB9ALMNAL3MBTL1PTGER1
SCHEMBL9064881 0.84 PTGER1 (0.76) MAPTPTGER1PTGER4PTGER3PTGER2
SCHEMBL9064386 0.82 PTGER1 (0.73) MAPTRAB9ALMNAL3MBTL1PTGER1
SCHEMBL8678180 0.82 HTR1A (0.56) MAPTRAB9ALMNAL3MBTL1HTR1A
SCHEMBL8327569 0.82 PTGER1 (0.73) MAPTRAB9ALMNAL3MBTL1PTGER1
SCHEMBL8322752 0.82 CYP4A11 (0.55) MAPTRAB9ALMNAL3MBTL1ALDH1A1
SCHEMBL8320496 0.81 KMT2A (0.57) MAPTRAB9ALMNAL3MBTL1PTGER1
SCHEMBL8406671 0.79 HTR1A (0.66) MAPTRAB9ALMNAL3MBTL1PTGER1

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 3 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