SCHEMBL8636072

SCHEMBL8636072

Cc1ccc(CN(CC(O)CO)c2ccccc2)o1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
POLB P06746 2/20 0.39
THRB P10828 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
AR P10275 1/20 0.36
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL8635706 0.85 MAPT (0.40) ALOX5POLBTHRBALDH1A1MAPT
SCHEMBL8632559 0.82 POLB (0.50) ALOX5POLBTHRBALDH1A1MAPT
SCHEMBL8632445 0.80 POLB (0.46) ALOX5POLBTHRBALDH1A1MAPT
SCHEMBL8633566 0.77 TSHR (0.55) ALOX5POLBTHRBALDH1A1MAPT
SCHEMBL8959067 0.77 KDM4E (0.44) POLBALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL7355561 0.76 TSHR (0.52) ALDH1A1MAPTTSHRKDM4ELMNA
SCHEMBL8630284 0.75 POLB (0.39) ALOX5POLBALDH1A1MAPTPKM
SCHEMBL1059610 0.74 TSHR (0.48) POLBALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL8629617 0.73 ALDH1A1 (0.41) ALOX5POLBALDH1A1MAPTPKM
SCHEMBL8748380 0.70 POLB (0.38) ALOX5POLBTHRBALDH1A1MAPT

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