SCHEMBL7118342

SCHEMBL7118342

COc1ccnc(OC)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ERN1 O75460 3/20 0.40
NPC1 O15118 2/20 0.40
GAA P10253 2/20 0.40
RAB9A P51151 1/20 0.40
IKBKB O14920 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PLAU P00749 2/20 0.38
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8195160 0.81 MAPT (0.38) MAPK1MAPTKDM4EALDH1A1HPGD
SCHEMBL8198856 0.78 KDM4E (0.45) MAPK1MAPTKDM4EALDH1A1HPGD
SCHEMBL30032251 0.77 NOS3 (0.44) MAPK1MAPTKDM4EALDH1A1HPGD
SCHEMBL28861826 0.77 KDM4E (0.43) MAPK1MAPTKDM4EALDH1A1HPGD
SCHEMBL5657009 0.77 KDM4E (0.43) MAPK1MAPTKDM4EALDH1A1HPGD
SCHEMBL24122438 0.77 MAPT (0.44) MAPK1MAPTKDM4EALDH1A1HPGD
SCHEMBL4704137 0.77 NOS3 (0.44) MAPK1MAPTKDM4EALDH1A1HPGD
SCHEMBL15469493 0.77 MAPT (0.43) MAPK1MAPTKDM4EALDH1A1HPGD
SCHEMBL3504054 0.76 ALDH1A1 (0.40) MAPK1MAPTKDM4EALDH1A1HPGD
SCHEMBL4074890 0.76 ALDH1A1 (0.44) MAPK1MAPTALDH1A1HPGDCYP3A4

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-1353636-A1 NOVEL COUPLERS FOR USE IN OXIDATIVE HAIR DYEING P & G-Clairol, Inc. (US) 2003-10-22 EP disclosed
WO-2002094208-A1 NOVEL COUPLERS FOR USE IN OXIDATIVE HAIR DYEING P & G - CLAIROL, INC. (US) 2002-11-28 WO disclosed