SCHEMBL8675320

SCHEMBL8675320

[CH2]CCc1cc(C(C)=O)ccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.54
MAOB P27338 3/20 0.54
PTGER1 P34995 2/20 0.49
PTGER4 P35408 2/20 0.49
PTGER3 P43115 2/20 0.49
PTGER2 P43116 2/20 0.49
MTNR1B P49286 2/20 0.49
MTNR1A P48039 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
SMPD1 P17405 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 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
SCHEMBL15338464 0.88 MAOB (0.55) MRGPRX4MAOBPTGER1PTGER4PTGER3
SCHEMBL7543730 0.86 MAOB (0.52) MRGPRX4MAOBPTGER1PTGER4PTGER3
SCHEMBL21391358 0.86 PTGER1 (0.54) MRGPRX4MAOBPTGER1PTGER4PTGER3
SCHEMBL10664626 0.85 MAOB (0.57) MRGPRX4MAOBSMN1; SMN2NPC1HPGD
SCHEMBL11179076 0.84 MAOB (0.56) MRGPRX4MAOBSMN1; SMN2NPC1HPGD
SCHEMBL21483708 0.84 MAOB (0.56) MRGPRX4MAOBPTGER1PTGER4PTGER3
SCHEMBL15417948 0.84 MTNR1B (0.55) MRGPRX4MAOBPTGER1PTGER4PTGER3
SCHEMBL9528336 0.83 MRGPRX4 (0.53) MRGPRX4MAOBPTGER1PTGER4PTGER3
SCHEMBL21483714 0.83 ALDH1A1 (0.55) MRGPRX4MAOBSMN1; SMN2NPC1HPGD
SCHEMBL8318002 0.83 PTGER1 (0.73) MRGPRX4MAOBPTGER1PTGER4PTGER3

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