SCHEMBL22025636

SCHEMBL22025636

CC#CCCC/C=C/C1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 19/20 0.59
▸ PTGER2 P43116 14/20 0.59
▸ PTGER3 P43115 1/20 0.40

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
SCHEMBL21658908 0.85 PTGER4 (0.51) PTGER4PTGER2
SCHEMBL15587037 0.84 PTGER4 (0.75) PTGER4PTGER2PTGER3
SCHEMBL16819284 0.84 PTGER4 (0.75) PTGER4PTGER2PTGER3
SCHEMBL18943959 0.84 PTGER4 (0.75) PTGER4PTGER2PTGER3
SCHEMBL16819281 0.84 PTGER4 (0.75) PTGER4PTGER2PTGER3
SCHEMBL19328432 0.84 PTGER4 (0.75) PTGER4PTGER2PTGER3
SCHEMBL22025652 0.81 PTGER4 (0.62) PTGER4PTGER2
SCHEMBL22025487 0.80 PTGER4 (0.65) PTGER4PTGER2PTGER3
SCHEMBL19328484 0.80 PTGER4 (0.86) PTGER4PTGER2PTGER3
SCHEMBL22025170 0.80 PTGER4 (0.86) PTGER4PTGER2PTGER3

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-3176162-B1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASE AND CONDITIONS CAYMAN CHEMICAL CO INC (US) 2020-05-27 — — EP disclosed
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