SCHEMBL8632445

SCHEMBL8632445

Cc1ccc(CN(CCO)c2ccccc2)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
ALOX5 P09917 1/20 0.43
THRB P10828 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
CHRM3 P20309 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8632559 0.87 POLB (0.50) POLBALOX5THRBALDH1A1MAPT
SCHEMBL8633566 0.82 TSHR (0.55) POLBALOX5THRBALDH1A1MAPT
SCHEMBL8636072 0.80 ALOX5 (0.39) POLBALOX5THRBALDH1A1MAPT
SCHEMBL8631339 0.76 POLB (0.70) POLBALOX5THRBALDH1A1MAPT
SCHEMBL8629960 0.74 ALOX5 (0.42) POLBALOX5ALDH1A1MAPTPKM
SCHEMBL8635706 0.74 MAPT (0.40) POLBALOX5THRBALDH1A1MAPT
SCHEMBL78451 0.73 KDM4E (0.46) POLBTHRBALDH1A1MAPTPKM
SCHEMBL8659550 0.73 POLB (0.50) POLBALOX5ALDH1A1MAPTPKM
SCHEMBL3061911 0.72 TSHR (0.59) THRBALDH1A1MAPTTSHRNPC1
Bromide SCHEMBL11628834 0.71 KDM4E (0.44) POLBTHRBALDH1A1MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5709816-A N,N-DISUBSTITUTED ANILINE COMPOUNDS KAO CORPORATION (JP) 1998-01-20 US disclosed
EP-0761214-A2 N,N-disubstituted anilines or alkylamines as singlet oxygen quenchers, topical compositions comprising them KAO CORPORATION (JP) 1997-03-12 EP disclosed