SCHEMBL8779316

SCHEMBL8779316

C[C@H](N)C(=O)NC(=O)Oc1nccc(OCc2ccc(C(F)(F)F)cc2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
MAOB P27338 3/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 1/20 0.38
PPIA P62937 1/20 0.38
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
PTPN1 P18031 4/20 0.37
FFAR1 O14842 2/20 0.37
PTPN2 P17706 2/20 0.37
PTPN6 P29350 2/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
ADAMTS4 O75173 1/20 0.36
MMP13 P45452 1/20 0.36
GRM2 Q14416 1/20 0.35

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
SCHEMBL8779260 0.92 MME (0.39) MMEACECPA1ACE2PPIA
SCHEMBL8779153 0.90 CARM1 (0.40) MMEACECPA1ACE2KDM5A
SCHEMBL8779312 0.90 L3MBTL1 (0.44) MAOBPPIAPTPN1NR3C2
SCHEMBL8779265 0.89 TRPV1 (0.38) PPARG
SCHEMBL8779192 0.88 KDM4E (0.39) MAOBPPARGKDM5A
SCHEMBL8779198 0.88 LTA4H (0.46) MMEACECPA1ACE2
SCHEMBL8779232 0.86 GSK3B (0.39)
SCHEMBL8883198 0.85 MAOB (0.39) MMEACECPA1ACE2MAOB
SCHEMBL8779246 0.85 MAOB (0.43) MAOBPPIAKDM5AKDM4CPTPN1
SCHEMBL8779134 0.83 CARM1 (0.38)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661269-B1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AG (DE) 1997-03-26 EP disclosed
EP-0661269-A1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed