SCHEMBL6954070

SCHEMBL6954070

C=CCOc1ccc(C2CCN(OC(=O)O)CC2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.36
HTT P42858 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
POLB P06746 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
HTR2A P28223 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33
CACNA1B Q00975 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
SCHEMBL6954704 0.88 MEN1 (0.41) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6956320 0.85 MEN1 (0.40) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6956127 0.84 PPARA (0.40) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL6041719 0.84 MEN1 (0.43) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6947646 0.83 MEN1 (0.42) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6952881 0.83 MEN1 (0.42) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6951299 0.83 NPC1 (0.50) NPC1RAB9AALDH1A1HTTHRH3
SCHEMBL6951786 0.81 KMT2A (0.41) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6961578 0.81 MEN1 (0.41) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6957728 0.81 TDP1 (0.42) MEN1KMT2AMAPTNPC1RAB9A

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