SCHEMBL6960040

SCHEMBL6960040

O=C(O)ON1CCC(c2ccc(OCCCOCc3cccs3)cc2)C(O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.36
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ALOX15 P16050 1/20 0.33
S1PR1 P21453 1/20 0.32
KCNA5 P22460 1/20 0.32
GBA1 P04062 1/20 0.32
CHRM3 P20309 1/20 0.32
KDM1A O60341 2/20 0.32
TSHR P16473 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
SCHEMBL6958384 0.88 MEN1 (0.35) LTA4HEPHX2MEN1KMT2AALDH1A1
SCHEMBL6043031 0.87 LTA4H (0.39) LTA4HEPHX2MEN1KMT2AALDH1A1
SCHEMBL6951052 0.85 KDM4E (0.44) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6947646 0.85 MEN1 (0.42) LTA4HMEN1KMT2AALDH1A1NPC1
SCHEMBL6955728 0.84 HRH2 (0.36) LTA4HMEN1KMT2AALDH1A1LMNA
SCHEMBL6952881 0.83 MEN1 (0.42) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6955507 0.80 REN (0.47)
SCHEMBL6951299 0.79 NPC1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6958492 0.79 S1PR1 (0.48) ALDH1A1NPC1RAB9ALMNAKDM4E
Bicarbonate SCHEMBL7447376 0.78 REN (0.45)

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