SCHEMBL11575327

SCHEMBL11575327

OOc1cccc2c1Cc1ccccc1C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 5/20 0.45
DRD5 P21918 5/20 0.45
DRD2 P14416 4/20 0.45
DRD3 P35462 4/20 0.45
HTR2A P28223 2/20 0.35
CYP1A2 P05177 1/20 0.34
DRD4 P21917 3/20 0.33
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CD69 Q07108 1/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL18350164 0.79 DRD2 (0.41) DRD1DRD5DRD2DRD3HTR2A
SCHEMBL4012626 0.76 MEN1 (0.43) DRD1DRD5DRD2DRD3DRD4
SCHEMBL6902826 0.75 DRD2 (0.41) DRD1DRD5DRD2DRD3HTR2A
SCHEMBL29935665 0.71 CYP1A2 (0.48) DRD1DRD5DRD2DRD3HTR2A
SCHEMBL6907003 0.71 DRD2 (0.62) DRD1DRD5DRD2DRD3HTR2A
SCHEMBL31634362 0.71 DRD2 (0.61) DRD1DRD5DRD2DRD3CYP1A2
SCHEMBL7918691 0.71 DRD2 (0.61) DRD1DRD5DRD2DRD3CYP1A2
SCHEMBL6901761 0.70 DRD2 (0.56) DRD1DRD5DRD2DRD3HTR2A
Ammonia Solution, Strong SCHEMBL3583671 0.70 DRD2 (0.61) DRD1DRD5DRD2DRD3HTR2A
SCHEMBL6870627 0.68 TRPA1 (0.56) HSD17B10TSHRALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4131646-A Preparation of hydrogen peroxide from dihydroanthracene hydroperoxides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-12-26 US disclosed