SCHEMBL8677246

SCHEMBL8677246

COc1ccc(COc2ccccc2CCCOC(=O)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.60
PTGER1 P34995 1/20 0.54
PTGER4 P35408 1/20 0.54
PTGER3 P43115 1/20 0.54
PTGER2 P43116 1/20 0.54
MTNR1B P49286 3/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.51
MTNR1A P48039 4/20 0.49
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
ATM Q13315 2/20 0.49
RXRA P19793 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL8676387 0.89 PTGER1 (0.62) ABCB1PTGER1PTGER4PTGER3PTGER2
SCHEMBL8676634 0.88 MTNR1B (0.57) ABCB1MTNR1BMTNR1AHTR1ADRD2
SCHEMBL8675525 0.86 PTGER1 (0.61) ABCB1PTGER1PTGER4PTGER3PTGER2
SCHEMBL7774976 0.81 PTGER1 (0.59) ABCB1PTGER1PTGER4PTGER3PTGER2
SCHEMBL8321843 0.81 PTGER1 (0.81) ABCB1PTGER1PTGER4PTGER3PTGER2
SCHEMBL8677032 0.81 ABCB1 (0.63) ABCB1MTNR1BSMN1; SMN2HTR1ADRD2
SCHEMBL8677245 0.80 ABCB1 (0.64) ABCB1PTGER1PTGER4PTGER3PTGER2
SCHEMBL8678180 0.79 HTR1A (0.56) NPC1RAB9ASMN1; SMN2MAPTHTR1A
SCHEMBL8676744 0.79 PTGER1 (0.50) PTGER1PTGER4PTGER3PTGER2NPC1
SCHEMBL8678347 0.79 HTR1A (0.62) ABCB1PTGER1PTGER4PTGER3PTGER2

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