SCHEMBL4697235

SCHEMBL4697235

CCOC(=O)OC1CCCCN1C(=O)c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.55
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRNA7 P36544 1/20 0.37
SRD5A1 P18405 2/20 0.36
SRD5A2 P31213 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ELANE P08246 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL4465338 0.85 CNR1 (0.57) CNR1ALDH1A1POLBHPGDHSD17B10
SCHEMBL4695651 0.84 CNR1 (0.60) CNR1ALDH1A1POLBHPGDRAB9A
SCHEMBL4459567 0.75 ALDH1A1 (0.68) CNR1ALDH1A1POLBHPGDRAB9A
SCHEMBL4465606 0.73 CNR1 (0.97) CNR1ALDH1A1HPGDRECQLHSD17B10
SCHEMBL4469473 0.72 CNR1 (1.00) CNR1ALDH1A1HPGDRECQLHSD17B10
SCHEMBL4463145 0.70 CNR1 (0.77) CNR1ALDH1A1HPGDHSD17B10RAB9A
SCHEMBL4465410 0.69 CNR1 (0.71) CNR1ALDH1A1HPGDSRD5A1SRD5A2
SCHEMBL4465268 0.69 CNR1 (0.70) CNR1ALDH1A1HPGDRAB9ANPC1
SCHEMBL4465277 0.68 CNR1 (0.77) CNR1ALDH1A1POLBHPGDMAPT
SCHEMBL4461776 0.68 CNR1 (0.69) CNR1ALDH1A1L3MBTL1RAB9AKMT2A

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-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP claimed