SCHEMBL7076956

SCHEMBL7076956

COc1cc(COC2CN(OC(=O)OC(C)(C)C)CCC2c2ccc(OCc3cc(-c4ccccc4)no3)cc2)c(OC)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.41
RAB9A P51151 13/20 0.39
NPC1 O15118 12/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.37
HSP90AA1 P07900 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7082067 0.91 RAB9A (0.39) RENRAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL7084998 0.90 REN (0.42) RENRAB9ANPC1
SCHEMBL7073953 0.88 REN (0.42) RENSMN1; SMN2
SCHEMBL6042111 0.88 REN (0.45) RENRAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL7076766 0.86 REN (0.54) REN
SCHEMBL7079908 0.86 REN (0.52) REN
SCHEMBL7080459 0.86 NPC1 (0.36) RENRAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL7080024 0.85 REN (0.41) RENMAPTMEN1KMT2A
SCHEMBL7079873 0.85 REN (0.46) RENRAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL7082883 0.85 REN (0.46) RENL3MBTL1TDP1POLB

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 1 patent. 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