SCHEMBL7654085

SCHEMBL7654085

COC(=O)N(COC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.53
ADRB1 P08588 2/20 0.53
ADRB3 P13945 2/20 0.53
MAPT P10636 3/20 0.50
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
PKM P14618 2/20 0.44
NR3C2 P08235 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 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
SCHEMBL4746148 0.78 MAPT (0.62) ADRB2ADRB1ADRB3MAPTKMT2A
SCHEMBL30822838 0.78 MAPT (0.62) ADRB2ADRB1ADRB3MAPTKMT2A
SCHEMBL28657003 0.77 MAPT (0.53) ADRB2ADRB1ADRB3MAPTKMT2A
SCHEMBL6679985 0.77 CYP2D6 (0.51) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL28652075 0.76 MAPT (0.50) ADRB2ADRB1ADRB3MAPTKMT2A
SCHEMBL31103641 0.74 MEN1 (0.76) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL1572442 0.74 MEN1 (0.76) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL3388760 0.73 NPC1 (0.62) ADRB2ADRB1ADRB3MAPTKMT2A
SCHEMBL5869531 0.73 MAPT (0.62) ADRB2ADRB1ADRB3MAPTKMT2A
Ammonia Solution, Strong SCHEMBL27704150 0.73 MEN1 (0.74) MAPTKMT2AMEN1ALDH1A1POLB

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
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed