SCHEMBL6959230

SCHEMBL6959230

O=C1CC(c2ccc(OCc3ccccc3)cc2)C(OC(=O)O)C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.47
MAOB P27338 2/20 0.46
GPBAR1 Q8TDU6 3/20 0.45
KCNH2 Q12809 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
CREBBP Q92793 2/20 0.44
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
TP53 P04637 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
BRD4 O60885 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42

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
SCHEMBL6041868 0.85 MMP13 (0.50) MMP13MAOBGPBAR1KCNH2LMNA
SCHEMBL6959195 0.82 MMP13 (0.49) MMP13MAOBKCNH2LMNAMAPT
SCHEMBL8182443 0.72 CRBN (0.67) MMP13MAOBKCNH2LMNAMAPT
SCHEMBL27767020 0.71 MAOB (0.56) MMP13MAOBKCNH2LMNAMAPT
SCHEMBL5207455 0.71 MAOB (0.56) MMP13MAOBKCNH2LMNAMAPT
SCHEMBL6041302 0.70 MMP13 (0.52) MMP13MAOBKCNH2LMNAMAPT
SCHEMBL6041299 0.70 MMP13 (0.52) MMP13MAOBKCNH2LMNAMAPT
SCHEMBL31728652 0.70 CYP4F2 (0.58) MMP13MAOBKCNH2LMNAKDM1A
SCHEMBL18923955 0.70 CYP4F2 (0.58) MMP13MAOBKCNH2LMNAKDM1A
SCHEMBL527236 0.70 CYP4F2 (0.58) MMP13MAOBKCNH2LMNAKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed