SCHEMBL8442998

SCHEMBL8442998

C/C(=C\c1c(F)cc(F)cc1Oc1cccc(N(C)C)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 1/20 0.39
F10 P00742 8/20 0.36
F2 P00734 4/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
PLG P00747 2/20 0.35
PLAU P00749 2/20 0.35
PLAT P00750 1/20 0.35
MAP2K1 Q02750 3/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL8374476 1.00 FFAR1 (0.39) FFAR1BCHEACHEF10F2
SCHEMBL8439020 0.86 FFAR1 (0.43) FFAR1BCHEACHEF10F2
SCHEMBL8373819 0.86 FFAR1 (0.43) FFAR1BCHEACHEF10F2
SCHEMBL8440642 0.78 BCHE (0.41) FFAR1BCHEACHEF10F2
SCHEMBL8374494 0.78 BCHE (0.41) FFAR1BCHEACHEF10F2
Guanidine SCHEMBL8517609 0.73 F10 (0.41) FFAR1BCHEACHEF10F2
SCHEMBL7140365 0.72 AKR1C3 (0.44)
SCHEMBL7140359 0.72 AKR1C3 (0.44)
SCHEMBL8374887 0.69 BCHE (0.41) FFAR1BCHEACHEF10F2
SCHEMBL8439128 0.69 BCHE (0.41) FFAR1BCHEACHEF10F2

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-0755919-B1 Substituted cinnamic acid guanidides, process for their preparation, their use as cardiovascualr medicament or diagnostic agent, as well as medicament containing them HOECHST AG (DE) 1999-11-17 EP claimed