SCHEMBL4690516

SCHEMBL4690516

O=C(O)Oc1cc(COc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)o1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 11/20 0.72
FFAR4 Q5NUL3 2/20 0.42
FFAR1 O14842 2/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
ADAMTS4 O75173 1/20 0.41
MMP13 P45452 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
GPR34 Q9UPC5 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
SCHEMBL4693822 0.91 PTGER4 (0.60) PTGER4HDAC1HDAC2HDAC4
SCHEMBL4693627 0.91 PTGER4 (0.60) PTGER4
SCHEMBL4687696 0.89 PTGER4 (0.57) PTGER4HDAC1HDAC2ADAMTS4MMP13
SCHEMBL3538400 0.84 PTGER4 (1.00) PTGER4
SCHEMBL4688546 0.82 PTGER4 (0.50) PTGER4PPARD
SCHEMBL4691618 0.82 PTGER4 (0.55) PTGER4PPARD
SCHEMBL4693788 0.81 PTGER4 (0.70) PTGER4
SCHEMBL4691616 0.79 PTGER4 (0.72) PTGER4
SCHEMBL4693615 0.77 PTGER4 (0.53) PTGER4FFAR4FFAR1PPARA
SCHEMBL4687872 0.76 PTGER4 (0.73) PTGER4FFAR4FFAR1PPARD

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