SCHEMBL6575809

SCHEMBL6575809

Nc1ccc(O)c(-c2ccccc2CCO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
APP P05067 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
SNCA P37840 1/20 0.40
CASP7 P55210 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE10A Q9Y233 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
SCHEMBL6572647 0.85 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2TDP1MEN1
Hydrochloric Acid SCHEMBL6571006 0.83 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2TDP1MEN1
SCHEMBL6573470 0.83 DPP4 (0.47) BACE1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL6011299 0.81 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2TDP1MEN1
SCHEMBL6576009 0.81 PRKCI (0.46) BACE1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL28271668 0.80 CA12 (0.44) NPC1RAB9ASMN1; SMN2TDP1MEN1
Hydrochloric Acid SCHEMBL6782393 0.80 ACHE (0.47) BACE1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL6573481 0.78 PDE10A (0.52) NPC1RAB9ASMN1; SMN2TDP1MEN1
SCHEMBL146272 0.76 PRKCI (0.55) BACE1TDP1MEN1KMT2AKDM4E
SCHEMBL30880219 0.75 PDE10A (0.64) NPC1RAB9ASMN1; SMN2TDP1MEN1

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-1208077-B1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-04-21 EP disclosed
EP-1208077-A1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-05-29 EP disclosed
WO-2002002507-A1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-01-10 WO disclosed