SCHEMBL3402829

SCHEMBL3402829

Cc1ccc(Cl)c(OCCC(C)(CN)CO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
L3MBTL1 Q9Y468 6/20 0.50
HPGD P15428 4/20 0.50
CYP2C9 P11712 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP2C19 P33261 2/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
ALOX12 P18054 1/20 0.50
KMT2A Q03164 1/20 0.50
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 4/20 0.40
ATM Q13315 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL3402827 0.78 MAPT (0.52) MAPTL3MBTL1HPGDCYP2C9ALDH1A1
SCHEMBL10358917 0.76 MAPT (0.65) MAPTL3MBTL1HPGDCYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL28128013 0.76 L3MBTL1 (0.46) L3MBTL1MEN1KMT2ARAB9ANPC1
SCHEMBL1195278 0.74 MAPT (0.51) MAPTL3MBTL1HPGDCYP2C9ALDH1A1
SCHEMBL18122081 0.73 MAPT (0.65) MAPTL3MBTL1HPGDCYP2C9ALDH1A1
SCHEMBL3401260 0.71 MAPT (0.51) MAPTL3MBTL1HPGDCYP2C9ALDH1A1
SCHEMBL13921776 0.71 MAPT (0.67) MAPTL3MBTL1HPGDCYP2C9ALDH1A1
SCHEMBL26938587 0.71 MAPT (0.62) MAPTL3MBTL1HPGDCYP2C9ALDH1A1
SCHEMBL15672765 0.70 MAPT (0.53) MAPTL3MBTL1HPGDCYP2C9ALDH1A1
SCHEMBL12958155 0.70 MAPT (0.56) MAPTL3MBTL1HPGDCYP2C9ALDH1A1

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
EP-2247571-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE Uniwersytet Jagiellonski (PL) 2010-11-10 EP disclosed
WO-2009093916-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2009-07-30 WO disclosed