SCHEMBL9815033

SCHEMBL9815033

COc1c2ccccc2c(OC)c2cc(NC(=O)CCO)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
P2RY12 Q9H244 1/20 0.45
MTNR1B P49286 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PTPRC P08575 3/20 0.43
MTNR1A P48039 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL9815046 0.92 NPC1 (0.49) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL9815031 0.88 NPSR1 (0.59) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL9815068 0.84 NPC1 (0.59) SMN1; SMN2LMNARAB9ANPC1P2RY12
SCHEMBL9815084 0.81 KDM4E (0.59) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL23080160 0.74 MTNR1B (0.70) SMN1; SMN2LMNAMEN1KMT2ARAB9A
SCHEMBL148317 0.73 P2RY12 (0.63) KMT2AKDM4EP2RY12MTNR1BMTNR1A
SCHEMBL147293 0.72 L3MBTL1 (0.77) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL10612618 0.71 MAPT (0.62) MAPTMEN1KMT2ARAB9AL3MBTL1
SCHEMBL11957585 0.70 NPSR1 (0.69) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL2470801 0.69 L3MBTL1 (0.66) SMN1; SMN2MAPTKDM4EL3MBTL1ALDH1A1

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-0447949-A1 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-09-25 EP disclosed