SCHEMBL8429544

SCHEMBL8429544

CCO/C(C)=N\OCCOc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
KCNA3 P22001 1/20 0.44
LTA4H P09960 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
PKM P14618 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42

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
SCHEMBL8429546 1.00 TDP1 (0.49) TDP1ALDH1A1RECQLKCNA3LTA4H
SCHEMBL11134309 0.78 MAPT (0.48) MAPTL3MBTL1LMNAPOLB
SCHEMBL14364719 0.77 NPC1 (0.44) TDP1ALDH1A1LTA4HMAPTRAB9A
SCHEMBL10527591 0.73 MTNR1A (0.46) TDP1ALDH1A1RECQLKCNA3MAPT
SCHEMBL10801466 0.72 LTA4H (0.75) TDP1ALDH1A1RECQLKCNA3LTA4H
Ethyl Propionate SCHEMBL1868753 0.71 TDP1 (0.58) TDP1ALDH1A1RECQLLTA4HMAPT
SCHEMBL27962 0.71 KCNA3 (0.82) ALDH1A1RECQLKCNA3LTA4HPKM
Acetic Acid SCHEMBL28173931 0.70 SMN1; SMN2 (0.57) TDP1ALDH1A1RECQLMAPTRAB9A
SCHEMBL215246 0.70 KCNA3 (0.58) TDP1ALDH1A1RECQLKCNA3LTA4H
SCHEMBL14075083 0.70 KCNA3 (0.58) ALDH1A1RECQLKCNA3LTA4HMAPT

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-0677040-B1 PROCESS AND INTERMEDIATE PRODUCTS FOR PREPARING HYDROXYLAMINE-ETHERS AND THEIR SALTS BASF AG (DE) 1999-10-27 EP disclosed
EP-0677040-A1 PROCESS AND INTERMEDIATE PRODUCTS FOR PREPARING HYDROXYLAMINE-ETHERS AND THEIR SALTS BASF Aktiengesellschaft (DE) 1995-10-18 EP disclosed
WO-1994014757-A1 PROCESS AND INTERMEDIATE PRODUCTS FOR PREPARING HYDROXYLAMINE-ETHERS AND THEIR SALTS BASF AKTIENGESELLSCHAFT (DE) 1994-07-07 WO disclosed