SCHEMBL4975907

SCHEMBL4975907

OCCNC(CO)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.44
ADRB1 P08588 2/20 0.44
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
HIF1A Q16665 1/20 0.39
CXCL8 P10145 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.38
AOC3 Q16853 1/20 0.37
LMNA P02545 1/20 0.36
CTSA P10619 2/20 0.36
CDC25A P30304 1/20 0.36
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
MCL1 Q07820 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL9180660 0.87 CNR1 (0.40) ADRB2ADRB1CYP2D6NFKB1HIF1A
Hydrochloric Acid SCHEMBL11798359 0.85 NISCH (0.42) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL28320402 0.83 ADRB2 (0.45) ADRB2ADRB1CYP2D6NFKB1HIF1A
Hydrochloric Acid SCHEMBL11798564 0.79 CNR1 (0.40) ADRB2ADRB1CXCL8MAPTBLM
SCHEMBL11839709 0.79 L3MBTL1 (0.39) ADRB2MAPTLMNACTSAHTT
SCHEMBL10884614 0.76 ADRB2 (0.46) ADRB2CYP2D6CYP2C19LMNAHTT
SCHEMBL18162854 0.75 ALDH1A1 (0.49) MAPTKMT2ALMNACTSAHTT
SCHEMBL18162841 0.75 ALDH1A1 (0.49) MAPTKMT2ALMNACTSAHTT
SCHEMBL22445670 0.74 MEN1 (0.40) ADRB2ADRB1MEN1KMT2ACTSA
SCHEMBL7191968 0.74 ADRB2 (0.53) ADRB2ADRB1CYP2D6NFKB1HIF1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713835-A4 INITIATING SYSTEM FOR SOLID POLYESTER GRANULE MANUFACTURE ORICA AUSTRALIA PTY LTD (AU) 2008-11-12 EP disclosed
EP-1713835-A1 INITIATING SYSTEM FOR SOLID POLYESTER GRANULE MANUFACTURE Orica Australia Pty Ltd (AU) 2006-10-25 EP disclosed
WO-2005073257-A1 INITIATING SYSTEM FOR SOLID POLYESTER GRANULE MANUFACTURE ORICA AUSTRALIA PTY LTD (AU) 2005-08-11 WO disclosed