SCHEMBL4687633

SCHEMBL4687633

N#Cc1ccc(-c2ccc(OCc3coc(OC(=O)O)c3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.56
MMP2 P08253 4/20 0.48
MAOB P27338 4/20 0.47
RAB9A P51151 1/20 0.44
MMP13 P45452 2/20 0.43
ADAMTS4 O75173 1/20 0.43
MMP3 P08254 4/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
ABCB1 P08183 1/20 0.42
HPGD P15428 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
MAOA P21397 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
FFAR1 O14842 2/20 0.41
SMPD1 P17405 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
AKR1B1 P15121 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL4686959 0.87 PTGER4 (0.73) PTGER4MMP2MMP9FFAR1SMPD1
SCHEMBL3537874 0.86 PTGER4 (0.76) PTGER4MMP2MAOBRAB9AMMP13
SCHEMBL4691702 0.85 PTGER4 (0.59) PTGER4RAB9AADAMTS4FFAR1
SCHEMBL4686978 0.77 PTGER4 (0.73) PTGER4MMP2
SCHEMBL4687696 0.74 PTGER4 (0.57) PTGER4MMP2MMP13ADAMTS4MMP3
SCHEMBL4420254 0.73 MMP2 (0.60) PTGER4MMP2RAB9AMMP13MMP3
SCHEMBL3535821 0.72 PTGER4 (1.00) PTGER4FFAR1FFAR4AKR1B1
SCHEMBL16841039 0.72 MAOB (0.72) PTGER4MMP2MAOBRAB9AMMP13
SCHEMBL7372943 0.71 MAOB (0.89) MMP2MAOBRAB9AABCB1HPGD
SCHEMBL4688386 0.71 LMNA (0.57) PTGER4MAOBMAOA

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
EP-1603893-B1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-05-21 EP claimed