SCHEMBL8779134

SCHEMBL8779134

C[C@H](N)C(=O)NC(=O)Oc1nccc(OCc2cc(Cl)cc(Cl)c2)c1O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.38
PRMT6 Q96LA8 3/20 0.38
LTA4H P09960 1/20 0.35
XIAP P98170 1/20 0.35
BIRC2 Q13490 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
ADAM17 P78536 2/20 0.34
ANO1 Q5XXA6 2/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
ACACB O00763 1/20 0.33
PLAU P00749 1/20 0.32
PTGER1 P34995 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SGMS2 Q8NHU3 1/20 0.32

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
SCHEMBL8779192 0.91 KDM4E (0.39) LTA4HMMP2KDM4EALDH1A1LMNA
SCHEMBL8779198 0.86 LTA4H (0.46) LTA4HXIAPACACBKDM4EALDH1A1
SCHEMBL8779260 0.85 MME (0.39) ADAM17PTGER1ALDH1A1L3MBTL1
SCHEMBL8779153 0.84 CARM1 (0.40) CARM1PRMT6LTA4HACACBKDM4E
SCHEMBL8779302 0.84 PLAU (0.36) LTA4HANO1PLAUPTGER1ALDH1A1
SCHEMBL8881529 0.83 CARM1 (0.39) CARM1PRMT6LTA4HXIAPBIRC2
SCHEMBL8779316 0.83 MME (0.39)
SCHEMBL8779212 0.82 HPGD (0.38) CARM1PRMT6AAK1KDM4EALDH1A1
SCHEMBL8779176 0.82 HPGD (0.38) CARM1PRMT6AAK1KDM4EALDH1A1
SCHEMBL8779292 0.82 CARM1 (0.35) CARM1PRMT6AAK1

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