SCHEMBL22025170

SCHEMBL22025170

CC#CCC(C)[C@H](O)/C=C/C1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 18/20 0.86
▸ PTGER2 P43116 11/20 0.86
▸ PTGER3 P43115 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57

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
SCHEMBL16819550 1.00 PTGER4 (0.86) PTGER4PTGER2PTGER3KCNH2
SCHEMBL16819547 1.00 PTGER4 (0.86) PTGER4PTGER2PTGER3KCNH2
SCHEMBL15586958 1.00 PTGER4 (0.86) PTGER4PTGER2PTGER3KCNH2
SCHEMBL16819545 1.00 PTGER4 (0.86) PTGER4PTGER2PTGER3KCNH2
SCHEMBL19328484 1.00 PTGER4 (0.86) PTGER4PTGER2PTGER3KCNH2
SCHEMBL18257010 0.95 PTGER4 (0.78) PTGER4PTGER2PTGER3KCNH2
SCHEMBL22024722 0.92 PTGER4 (1.00) PTGER4PTGER2PTGER3KCNH2
SCHEMBL16819583 0.92 PTGER4 (1.00) PTGER4PTGER2PTGER3KCNH2
SCHEMBL22024934 0.92 PTGER4 (1.00) PTGER4PTGER2PTGER3KCNH2
SCHEMBL15587028 0.92 PTGER4 (1.00) PTGER4PTGER2PTGER3KCNH2

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
Send feedback