SCHEMBL8522725

SCHEMBL8522725

N#Cc1ccc(CCCc2ccc(C(=O)OCc3ccccc3)cc2)c(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.56
PTGER4 P35408 1/20 0.56
PTGER3 P43115 1/20 0.56
PTGER2 P43116 1/20 0.56
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TSHR P16473 1/20 0.44
MRGPRX4 Q96LA9 4/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NAMPT P43490 2/20 0.41
MAOB P27338 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL8326500 0.90 PTGER1 (0.69) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL8676445 0.87 MRGPRX4 (0.47) PTGER1PTGER4PTGER3PTGER2TDP1
SCHEMBL8323487 0.87 LMNA (0.50) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL8322439 0.82 MRGPRX4 (0.55) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL8676443 0.81 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL17769820 0.78 KMT2A (0.69) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL8318978 0.77 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL8327256 0.77 PTGER1 (0.72) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL8409628 0.76 MRGPRX4 (0.57) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL8320717 0.75 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2KMT2A

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