SCHEMBL7080914

SCHEMBL7080914

COCCOc1c(COC2CN(OC(=O)O)CCC2c2ccc(O)cc2)ccc2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.33
KRAS P01116 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SLC2A1 P11166 1/20 0.31

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
SCHEMBL7080086 0.90 REN (0.31) REN
SCHEMBL6043104 0.89 REN (0.33) RENKRASKDM4EMEN1ALDH1A1
SCHEMBL6041853 0.83 REN (0.33) REN
SCHEMBL7076917 0.80 REN (0.33) REN
SCHEMBL6042443 0.79 REN (0.35) REN
SCHEMBL7075270 0.77 MEN1 (0.42) RENMEN1KMT2A
SCHEMBL7080459 0.77 NPC1 (0.36) REN
SCHEMBL7080839 0.77 PDCD1 (0.38) REN
SCHEMBL27502531 0.76 PRMT5 (0.36) REN
SCHEMBL6041417 0.76 PDCD1 (0.41) REN

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