SCHEMBL6958897

SCHEMBL6958897

CC(C)(C)OC(=O)ON1C[C@@H](CO)[C@@H](c2ccc(OCc3ccccc3)cc2)[C@@H](CO)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.42
LTA4H P09960 1/20 0.41
MAOB P27338 3/20 0.40
TP53 P04637 1/20 0.40
YAP1 P46937 2/20 0.40
KCNH2 Q12809 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCD Q05655 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL6952635 0.91 REN (0.40) KCNH2KDM4EKMT2AALDH1A1LMNA
SCHEMBL6954533 0.87 MAOA (0.42) S1PR5LTA4HMAOBYAP1KCNH2
SCHEMBL6955012 0.86 REN (0.41) KDM4EALDH1A1LMNA
SCHEMBL6953398 0.84 PDE4B (0.35) KDM1ALMNA
SCHEMBL6951355 0.81 L3MBTL1 (0.45) KDM4EALDH1A1LMNA
SCHEMBL7078307 0.80 REN (0.52) LTA4HKDM4EALDH1A1LMNA
SCHEMBL7077508 0.80 REN (0.54)
SCHEMBL6042358 0.79 S1PR5 (0.49) S1PR5MAOBTP53KCNH2NR4A1
SCHEMBL6042353 0.79 S1PR5 (0.49) S1PR5MAOBTP53KCNH2NR4A1
SCHEMBL6959509 0.79 NPC1 (0.44) S1PR5LTA4HMAOBTP53YAP1

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