SCHEMBL13619519

SCHEMBL13619519

COC(=O)c1ccc([C@H](C)NC(=O)c2cc(Cl)cn2Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 9/20 0.48
ACACB O00763 1/20 0.45
PHGDH O43175 3/20 0.44
PTGDR Q13258 5/20 0.44
PTGER2 P43116 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MCHR1 Q99705 1/20 0.42
P2RX3 P56373 1/20 0.42

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
SCHEMBL12948788 0.92 PTGER4 (0.48) PTGER4ACACBPHGDHPTGDRPTGER2
SCHEMBL12585296 0.89 PHGDH (0.56) PTGER4PHGDHPTGDRPTGER2
SCHEMBL12584531 0.88 CYP1A2 (0.47) PTGER4PHGDHPTGDRGPR139TP53
SCHEMBL10085708 0.85 PTGER4 (0.48) PTGER4ACACBPHGDHPTGDRPTGER2
SCHEMBL12583919 0.84 P2RX3 (0.42) ALDH1A1LMNAP2RX3
SCHEMBL12584692 0.81 RAB9A (0.58) PTGER4ACACBPHGDHPTGER2P2RX3
SCHEMBL12585324 0.81 PHGDH (0.54) PTGER4PHGDHPTGDRPTGER2
SCHEMBL12948790 0.81 P2RX3 (0.46) PTGER4ACACBPHGDHPTGDRPTGER2
SCHEMBL12584141 0.79 PTGER4 (0.48) PTGER4PTGDRGPR139TP53P2RX3
SCHEMBL13619447 0.79 MAPT (0.68) TP53ALDH1A1

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
WO-2009139373-A1 AMIDE COMPOUND アステラス製薬株式会社 (JP) 2009-11-19 WO disclosed