SCHEMBL8676387

SCHEMBL8676387

O=C(OCCCc1ccccc1OCc1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.62
PTGER4 P35408 3/20 0.62
PTGER3 P43115 3/20 0.62
PTGER2 P43116 3/20 0.62
TDP1 Q9NUW8 2/20 0.55
HTR1A P08908 1/20 0.55
DRD2 P14416 1/20 0.55
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KMT2A Q03164 1/20 0.54
MGLL Q99685 1/20 0.52
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
HTT P42858 1/20 0.48
ABCB1 P08183 2/20 0.48
FOLH1 Q04609 1/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 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
SCHEMBL8675525 0.96 PTGER1 (0.61) PTGER1PTGER4PTGER3PTGER2TDP1
SCHEMBL8677246 0.89 ABCB1 (0.60) PTGER1PTGER4PTGER3PTGER2TDP1
SCHEMBL8678347 0.88 HTR1A (0.62) PTGER1PTGER4PTGER3PTGER2TDP1
SCHEMBL8676744 0.88 PTGER1 (0.50) PTGER1PTGER4PTGER3PTGER2TDP1
SCHEMBL8677652 0.88 PTGER1 (0.49) PTGER1PTGER4PTGER3PTGER2TDP1
SCHEMBL8675455 0.87 ESR1 (0.52) PTGER1PTGER4PTGER3PTGER2TDP1
SCHEMBL8676066 0.87 ESR1 (0.52) PTGER1PTGER4PTGER3PTGER2TDP1
SCHEMBL8677606 0.86 TDP1 (0.55) PTGER1PTGER4PTGER3PTGER2TDP1
SCHEMBL8675086 0.86 TDP1 (0.55) PTGER1PTGER4PTGER3PTGER2TDP1
SCHEMBL8675900 0.85 TDP1 (0.48) PTGER1PTGER4PTGER3PTGER2TDP1

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