SCHEMBL22791345

SCHEMBL22791345

C[C@H](NC(=O)c1n[nH]c2cccc(Cc3cccc(C(F)(F)F)c3)c12)c1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 19/20 0.57
▸ PTGER2 P43116 4/20 0.57
▸ PTGDR Q13258 1/20 0.51

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
SCHEMBL22776614 0.91 PTGER4 (0.53) PTGER4PTGER2PTGDR
SCHEMBL22776466 0.91 PTGER4 (0.53) PTGER4PTGER2PTGDR
SCHEMBL29527734 0.91 PTGER4 (0.53) PTGER4PTGER2PTGDR
SCHEMBL22776910 0.83 PDE2A (0.44) PTGER4PTGER2PTGDR
SCHEMBL29614474 0.83 PDE2A (0.44) PTGER4PTGER2PTGDR
SCHEMBL22776912 0.83 PDE2A (0.44) PTGER4PTGER2PTGDR
SCHEMBL22791346 0.81 PTGER4 (0.55) PTGER4PTGER2PTGDR
SCHEMBL22791348 0.78 PTGER4 (0.57) PTGER4PTGER2PTGDR
SCHEMBL22791351 0.78 PTGER4 (0.41) PTGER4PTGER2
SCHEMBL22777394 0.75 PTGER4 (0.59) PTGER4PTGER2PTGDR

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-2020251957-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
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