SCHEMBL6530706

SCHEMBL6530706

CCCCCOc1ccc2cccc3c4cccc5cccc(c1c23)c54

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.49
CNR2 P34972 3/20 0.49
CYP2C9 P11712 1/20 0.49
MCHR1 Q99705 3/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTR1B P28222 5/20 0.44
HTR1D P28221 1/20 0.43
TLR8 Q9NR97 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNA3 P22001 1/20 0.41

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
SCHEMBL28411075 0.95 TDP1 (0.52) CNR1CNR2CYP2C9MCHR1GAA
SCHEMBL27826948 0.90 CNR1 (0.47) CNR1CNR2CYP2C9MCHR1GAA
SCHEMBL4006487 0.84 CNR1 (0.54) CNR1CNR2CYP2C9MCHR1GAA
SCHEMBL8916479 0.84 CNR1 (0.51) CNR1CNR2CYP2C9MCHR1GAA
SCHEMBL27553479 0.83 ALDH1A1 (0.47) GAATDP1L3MBTL1HTR1BALDH1A1
SCHEMBL29170806 0.83 CNR1 (0.38) CNR1CNR2CYP2C9MCHR1GAA
SCHEMBL3999003 0.83 CNR1 (0.52) CNR1CNR2CYP2C9MCHR1GAA
SCHEMBL20678376 0.83 CNR1 (0.52) CNR1CNR2CYP2C9MCHR1GAA
SCHEMBL20678369 0.83 CNR1 (0.52) CNR1CNR2CYP2C9MCHR1GAA
SCHEMBL20678483 0.83 CNR1 (0.52) CNR1CNR2CYP2C9MCHR1GAA

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
US-6916982-B2 Synthesis of perylene-porphyrin building blocks and polymers thereof for the production of light-harvesting arrays NORTH CAROLINA STATE UNIVERSITY (US) 2005-07-12 US disclosed
WO-2003105237-A1 SYNTHESIS OF PERYLENE-PORPHYRIN BUILDING BLOCKS AND POLYMERS THEREOF FOR THE PRODUCTION OF LIGHT-HARVESTING ARRAYS NORTH CAROLINA STATE UNIVERSITY (US) 2003-12-18 WO disclosed
US-20030075216-A1 Synthesis of perylene-porphyrin building blocks and polymers thereof for the production of light-harvesting arrays NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-24 US disclosed