SCHEMBL4687696

SCHEMBL4687696

N#Cc1ccc(-c2ccc(OCc3cc(OC(=O)O)oc3C(F)(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.57
MMP2 P08253 6/20 0.44
MMP3 P08254 5/20 0.42
MMP13 P45452 2/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
ABCB1 P08183 1/20 0.39
HPGD P15428 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
ADAMTS4 O75173 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL4690516 0.89 PTGER4 (0.72) PTGER4MMP13HDAC1HDAC2ADAMTS4
SCHEMBL4693627 0.86 PTGER4 (0.60) PTGER4
SCHEMBL3534872 0.85 PTGER4 (0.79) PTGER4MMP2MMP3MMP13MMP1
SCHEMBL4686978 0.83 PTGER4 (0.73) PTGER4MMP2
SCHEMBL4693822 0.80 PTGER4 (0.60) PTGER4HDAC1HDAC2
SCHEMBL4687633 0.74 PTGER4 (0.56) PTGER4MMP2MMP3MMP13MMP1
SCHEMBL4691618 0.74 PTGER4 (0.55) PTGER4HPGDPPARD
SCHEMBL4688546 0.74 PTGER4 (0.50) PTGER4PPARD
SCHEMBL3538400 0.73 PTGER4 (1.00) PTGER4
SCHEMBL4687872 0.73 PTGER4 (0.73) PTGER4PPARD

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