SCHEMBL22024698

SCHEMBL22024698

CCCCC[C@H](O)/C=C/C1CC(F)(F)C(=O)N1CCCCCCC(=O)OC

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 17/20 0.80
▸ PTGER2 P43116 8/20 0.80
▸ PTGER3 P43115 7/20 0.80
▸ KCNH2 Q12809 1/20 0.53

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
SCHEMBL15587163 1.00 PTGER4 (0.80) PTGER4PTGER2PTGER3KCNH2
SCHEMBL15549584 1.00 PTGER4 (0.80) PTGER4PTGER2PTGER3KCNH2
SCHEMBL15549893 1.00 PTGER4 (0.80) PTGER4PTGER2PTGER3KCNH2
SCHEMBL28436535 1.00 PTGER4 (0.80) PTGER4PTGER2PTGER3KCNH2
SCHEMBL15549582 1.00 PTGER4 (0.80) PTGER4PTGER2PTGER3KCNH2
SCHEMBL16819283 1.00 PTGER4 (0.80) PTGER4PTGER2PTGER3KCNH2
SCHEMBL15550912 1.00 PTGER4 (0.80) PTGER4PTGER2PTGER3KCNH2
SCHEMBL15549892 1.00 PTGER4 (0.80) PTGER4PTGER2PTGER3KCNH2
SCHEMBL15549891 1.00 PTGER4 (0.80) PTGER4PTGER2PTGER3KCNH2
SCHEMBL15549258 0.89 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
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