SCHEMBL8323487

SCHEMBL8323487

N#Cc1ccc(CCCc2ccc(C(=O)OCc3ccccc3)cc2)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 3/20 0.47
KMT2A Q03164 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TSHR P16473 1/20 0.46
HSP90AA1 P07900 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
NAMPT P43490 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL8522725 0.87 PTGER1 (0.56) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL8325941 0.82 PTGER1 (0.43) KMT2AESR1ESR2PTGER1PTGER4
SCHEMBL17769820 0.79 KMT2A (0.69) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL9064750 0.79 LMNA (0.51) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL8326500 0.77 PTGER1 (0.69) KMT2APTGER1PTGER4PTGER3PTGER2
SCHEMBL8322439 0.76 MRGPRX4 (0.55) LMNAKMT2APTGER1PTGER4PTGER3
SCHEMBL13885770 0.74 KMT2A (0.74) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL8676445 0.74 MRGPRX4 (0.47) TDP1KMT2ASLC6A2SLC6A3ESR1
SCHEMBL3083135 0.74 KMT2A (0.79) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL4394877 0.73 KMT2A (0.49) LMNATDP1KMT2ASLC6A2SLC6A3

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