Sugi Predict

Sugi Predict / Compounds / SCHEMBL5159458

SCHEMBL5159458

SCHEMBL5159458

C[C@H](NC(=O)c1cc(Cl)ccc1CCOCC(C)(C)C)c1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 18/20 0.53
▸ PTGER2 P43116 4/20 0.52
▸ PHGDH O43175 1/20 0.46
▸ PTGDR Q13258 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.46

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
SCHEMBL3978147 0.90 PTGER4 (0.55) PTGER4PTGER2PHGDHPTGDRNR1H4
SCHEMBL4564416 0.90 PTGER4 (0.55) PTGER4PTGER2PHGDHPTGDRNR1H4
SCHEMBL3980797 0.83 PTGER4 (0.46) PTGER4PTGER2PTGDR
SCHEMBL3987711 0.80 PTGER4 (0.57) PTGER4PTGER2PHGDHPTGDR
SCHEMBL27661880 0.80 PTGER4 (0.57) PTGER4PTGER2PHGDHPTGDR
SCHEMBL692553 0.78 PTGER4 (0.64) PTGER4PTGER2PHGDH
SCHEMBL5360697 0.76 PTGER4 (0.76) PTGER4PTGER2PTGDR
SCHEMBL691363 0.75 PTGER4 (0.63) PTGER4PTGER2PTGDR
SCHEMBL692225 0.75 PTGER4 (0.58) PTGER4PTGER2PHGDH
SCHEMBL15463555 0.75 PTGER4 (0.58) PTGER4PTGER2PHGDH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756042-A1 SUBSTITUTED METHYL ARYL OR HETEROARYL AMIDE COMPOUNDS Pfizer, Inc. (US) 2007-02-28 — — EP disclosed
WO-2005105732-A1 SUBSTITUTED METHYL ARYL OR HETEROARYL AMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2005-11-10 — — WO disclosed