SCHEMBL6903531

SCHEMBL6903531

O[C@@H]1c2ccccc2-c2ccccc2[C@@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.46
HTR2A P28223 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
CYP2D6 P10635 2/20 0.44
POLB P06746 1/20 0.43
PARP3 Q9Y6F1 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 2/20 0.38

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
SCHEMBL29469331 1.00 GPR3 (0.46) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL6903537 1.00 GPR3 (0.46) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL29503342 1.00 GPR3 (0.46) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL29469332 1.00 GPR3 (0.46) GPR3HTR2AHDAC3HDAC4HDAC7
Alcohol SCHEMBL28567797 0.87 GPR3 (0.43) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL23005422 0.82 HTR2A (0.43) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL3994733 0.82 CYP2D6 (0.55) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL8205238 0.82 ALDH1A1 (0.43) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL216862 0.81 MAOA (0.52) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL29376368 0.81 MAOA (0.52) GPR3HTR2AHDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393985-B2 Supported ruthenium nanoparticle catalyst for cis -dihydroxylation and oxidative cleavage of alkenes THE UNIVERSITY OF HONG KONG (CN) 2008-07-01 US disclosed
US-7393985-B2 Supported ruthenium nanoparticle catalyst for cis -dihydroxylation and oxidative cleavage of alkenes THE UNIVERSITY OF HONG KONG (CN) 2008-07-01 US disclosed
US-6794167-B2 PROTEIN COMPLEX FOR USE IN THE BIOSYNTHESIS OF PREFERENTIAL COMPOUNDS UNIVERSITY OF IOWA RESEARCH FOUNDATION 2004-09-21 US disclosed
US-20030022335-A1 Novel polypeptides and methods for their use UNIVERSITY OF IOWA RESEARCH FOUNDATION 2003-01-30 US disclosed