SCHEMBL8327698

SCHEMBL8327698

O=C(O)c1ccc(CCCc2ccccc2OCc2cccnc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.78
PTGER4 P35408 1/20 0.78
PTGER3 P43115 1/20 0.78
PTGER2 P43116 1/20 0.78
HTR1A P08908 3/20 0.67
DRD2 P14416 3/20 0.67
SLC1A5 Q15758 1/20 0.51
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
ABCB1 P08183 1/20 0.50
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
GFER P55789 1/20 0.48
MAPK1 P28482 1/20 0.48
RXRA P19793 4/20 0.47
RXRB P28702 3/20 0.47
RXRG P48443 2/20 0.47
HPGD P15428 1/20 0.47
FOLH1 Q04609 1/20 0.46
MEN1 O00255 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
SCHEMBL8325504 0.88 HTR1A (0.60) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8319420 0.88 PTGER1 (1.00) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8678346 0.86 HTR1A (0.67) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8321768 0.85 PTGER1 (0.95) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8327425 0.84 PTGER1 (0.61) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8324836 0.84 PTGER1 (0.92) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL5353235 0.81 TBXAS1 (0.62) ALDH1A1
SCHEMBL8325162 0.81 PTGER1 (0.69) PTGER1PTGER4PTGER3PTGER2ALDH1A1
SCHEMBL8329372 0.81 HTR1A (0.57) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8678347 0.81 HTR1A (0.62) PTGER1PTGER4PTGER3PTGER2HTR1A

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
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed