SCHEMBL29614504

SCHEMBL29614504

CC(C)Cn1nc(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c2c(Cc3ccc(C(F)(F)F)cc3)cccc21

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 19/20 0.53
▸ PTGER2 P43116 1/20 0.50
▸ PTGDR Q13258 1/20 0.49
▸ PTGER3 P43115 1/20 0.47
▸ RORC P51449 1/20 0.45

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
SCHEMBL22776650 1.00 PTGER4 (0.53) PTGER4PTGER2PTGDRPTGER3RORC
SCHEMBL22776648 1.00 PTGER4 (0.53) PTGER4PTGER2PTGDRPTGER3RORC
SCHEMBL22776587 0.93 PTGER4 (0.54) PTGER4PTGER2PTGDRPTGER3
SCHEMBL22776588 0.93 PTGER4 (0.54) PTGER4PTGER2PTGDRPTGER3
SCHEMBL29614485 0.92 PTGER4 (0.44) PTGER4PTGER2PTGDRPTGER3RORC
SCHEMBL22776442 0.92 PTGER4 (0.44) PTGER4PTGER2PTGDRPTGER3RORC
SCHEMBL22776439 0.92 PTGER4 (0.44) PTGER4PTGER2PTGDRPTGER3RORC
SCHEMBL22777144 0.88 PTGER4 (0.53) PTGER4PTGER2PTGDRPTGER3
SCHEMBL22777142 0.88 PTGER4 (0.53) PTGER4PTGER2PTGDRPTGER3
SCHEMBL29614449 0.88 PTGER4 (0.53) PTGER4PTGER2PTGDRPTGER3

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-3983412-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF Teon Therapeutics, Inc. (US) 2022-04-20 — — EP disclosed
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