SCHEMBL8677245

SCHEMBL8677245

COc1ccc(COc2ccccc2CCCc2ccccc2C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.64
PTGER1 P34995 3/20 0.60
PTGER4 P35408 2/20 0.60
PTGER3 P43115 2/20 0.60
PTGER2 P43116 2/20 0.60
HTR1A P08908 3/20 0.52
DRD2 P14416 3/20 0.52
MTNR1A P48039 4/20 0.52
MTNR1B P49286 3/20 0.52
TP53 P04637 2/20 0.50
RXRA P19793 1/20 0.50
USP2 O75604 1/20 0.50
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.47
FFAR1 O14842 1/20 0.47

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
SCHEMBL8675205 0.88 PTGER1 (0.71) ABCB1PTGER1PTGER4PTGER3PTGER2
SCHEMBL8676630 0.88 MTNR1A (0.55) ABCB1PTGER1PTGER4PTGER3PTGER2
SCHEMBL8321843 0.87 PTGER1 (0.81) ABCB1PTGER1PTGER4PTGER3PTGER2
SCHEMBL8675521 0.86 PTGER1 (0.67) ABCB1PTGER1PTGER4PTGER3PTGER2
SCHEMBL8677422 0.84 PTGER1 (0.65) ABCB1PTGER1PTGER4PTGER3PTGER2
SCHEMBL1388037 0.84 RXRA (0.60) ABCB1PTGER1TP53RXRAUSP2
SCHEMBL8674578 0.83 PTGER4 (0.60) ABCB1PTGER1PTGER4PTGER3PTGER2
SCHEMBL8677356 0.82 PTGER1 (0.59) ABCB1PTGER1PTGER4PTGER3PTGER2
SCHEMBL8323025 0.81 PTGER4 (0.65) ABCB1PTGER1PTGER4PTGER3PTGER2
SCHEMBL5333596 0.80 USP2 (0.61) ABCB1TP53USP2NPC1RAB9A

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