SCHEMBL20198176

SCHEMBL20198176

CC(C)(C)OC(=O)N1CCC(C(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.61
FAAH O00519 1/20 0.57
MMP13 P45452 1/20 0.54
SCD5 Q86SK9 1/20 0.51
BMP1 P13497 1/20 0.51
MAPT P10636 8/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 2/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
EDNRA P25101 1/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 1/20 0.47
DPP4 P27487 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL3637342 0.86 MMP13 (0.52) MGLLFAAHMMP13SCD5BMP1
SCHEMBL27008546 0.84 HPGD (0.67) MMP13SCD5MAPTNPC1ALDH1A1
SCHEMBL20408672 0.84 MGLL (0.58) MGLLFAAHMMP13NPC1ALDH1A1
SCHEMBL16113168 0.83 OGA (0.60) SCD5
SCHEMBL15100627 0.82 MGLL (0.66) MGLLFAAHHPGD
SCHEMBL15266373 0.81 SCD5 (0.55) MMP13SCD5BMP1MAPTNPC1
SCHEMBL18634068 0.81 MGLL (0.55) MGLLFAAHMMP13NPC1ALDH1A1
SCHEMBL13074862 0.79 ITGB3 (0.52) MMP13SCD5BMP1MAPTKEAP1
SCHEMBL16744482 0.78 MGLL (0.55) MGLLFAAHMMP13SCD5BMP1
SCHEMBL14637520 0.78 SMN1; SMN2 (0.53) MGLLSCD5MAPTALDH1A1MAPK1

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-3326627-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2018-05-30 EP disclosed