SCHEMBL28692145

SCHEMBL28692145

C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1csc(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 20/20 0.74
▸ PTGER2 P43116 3/20 0.74

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
SCHEMBL10122170 0.88 PTGER4 (0.81) PTGER4PTGER2
SCHEMBL24861880 0.87 PTGER4 (0.72) PTGER4PTGER2
SCHEMBL26417331 0.87 PTGER4 (0.72) PTGER4PTGER2
SCHEMBL28692146 0.87 PTGER4 (0.67) PTGER4PTGER2
Palupiprant SCHEMBL881212 0.85 PTGER4 (1.00) PTGER4PTGER2
Palupiprant SCHEMBL20563735 0.85 PTGER4 (1.00) PTGER4PTGER2
Palupiprant SCHEMBL881413 0.85 PTGER4 (1.00) PTGER4PTGER2
Palupiprant SCHEMBL29517740 0.85 PTGER4 (1.00) PTGER4PTGER2
SCHEMBL24861881 0.85 PTGER4 (0.73) PTGER4PTGER2
SCHEMBL26417308 0.85 PTGER4 (0.73) PTGER4PTGER2

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
CN-113354585-A Synthesis of novel EP4 antagonists and their use in cancer and inflammation 湖北生物医药产业技术研究院有限公司 2021-09-07 — — CN disclosed
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