SCHEMBL8675899

SCHEMBL8675899

O=C(O)c1ccccc1CCCc1ccc(Br)cc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 12/20 0.54
PTGER4 P35408 3/20 0.54
PTGER3 P43115 3/20 0.54
PTGER2 P43116 3/20 0.54
FOLH1 Q04609 2/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
SLC6A4 P31645 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL8675451 0.88 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2FOLH1
SCHEMBL8675205 0.86 PTGER1 (0.71) PTGER1PTGER4PTGER3PTGER2FOLH1
SCHEMBL8319623 0.84 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2FOLH1
SCHEMBL8676630 0.83 MTNR1A (0.55) PTGER1PTGER4PTGER3PTGER2KDM4E
SCHEMBL8675521 0.83 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2FOLH1
SCHEMBL8676443 0.82 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2FOLH1
SCHEMBL8677422 0.82 PTGER1 (0.65) PTGER1PTGER4PTGER3PTGER2FOLH1
SCHEMBL8677124 0.81 MEN1 (0.56) PTGER1PTGER4PTGER3PTGER2KDM4E
SCHEMBL16898127 0.80 FOLH1 (0.58) PTGER1FOLH1ALDH1A1CYP1A2KDM4E
SCHEMBL8676059 0.80 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2FOLH1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed