SCHEMBL4693822

SCHEMBL4693822

O=C(O)Oc1cc(COc2cccc(-c3ccccc3)c2)c(C(F)(F)F)o1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.60
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.45
CFD P00746 1/20 0.43
NR4A2 P43354 1/20 0.43
SOD1 P00441 1/20 0.41
MCL1 Q07820 2/20 0.41
SMPD1 P17405 1/20 0.40
HDAC4 P56524 1/20 0.40
GGPS1 O95749 1/20 0.40
BCL2L1 Q07817 1/20 0.40

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 0.91 PTGER4 (0.72) PTGER4HDAC1HDAC2HDAC4
SCHEMBL3537655 0.85 PTGER4 (0.82) PTGER4HDAC1HDAC2MRGPRX4CFD
SCHEMBL4693627 0.81 PTGER4 (0.60) PTGER4
SCHEMBL4691524 0.80 PTGER4 (0.56) PTGER4MRGPRX4NR4A2MCL1
SCHEMBL4688546 0.80 PTGER4 (0.50) PTGER4
SCHEMBL4691618 0.80 PTGER4 (0.55) PTGER4
SCHEMBL4687696 0.80 PTGER4 (0.57) PTGER4HDAC1HDAC2
SCHEMBL3538400 0.75 PTGER4 (1.00) PTGER4
SCHEMBL4693680 0.73 PTGER4 (0.74) PTGER4
SCHEMBL4693788 0.72 PTGER4 (0.70) PTGER4

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