SCHEMBL1207162

SCHEMBL1207162

COc1cc(-c2ccccc2CO)ccc1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.50
CD274 Q9NZQ7 2/20 0.50
HTR7 P34969 2/20 0.41
PDK2 Q15119 2/20 0.41
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40
CTSA P10619 3/20 0.40
CNR2 P34972 1/20 0.40
HSD17B3 P37058 1/20 0.39
RORC P51449 1/20 0.39
RORB Q92753 1/20 0.39
PTGS2 P35354 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 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
SCHEMBL1206479 0.89 CNR2 (0.51) PDCD1CD274HTR7CTSACNR2
SCHEMBL410769 0.82 PDCD1 (0.44) PDCD1CD274PDK2PTPRCCNR2
SCHEMBL4108345 0.78 PDCD1 (0.51) PDCD1CD274PDE5APDE4APDE1A
SCHEMBL2782523 0.77 ALDH1A1 (0.56) PDCD1CD274PDK2CYP3A4
SCHEMBL1206460 0.76 RORC (0.40) PDCD1CD274CTSACNR2RORC
SCHEMBL20550345 0.72 CYP1A1 (0.56) PDCD1CD274HTR7PDK2PTPRC
SCHEMBL6948272 0.72 PDCD1 (0.46) PDCD1CD274CYP1A2CYP3A4CYP2D6
SCHEMBL8023702 0.72 PDCD1 (0.49) PDCD1CD274CTSAESR1ESR2
SCHEMBL14128373 0.72 ADORA2A (0.39) PDCD1CD274PDK2HSD17B3RORB
SCHEMBL1497158 0.72 CYP2C19 (0.53) PDCD1CD274HTR7PDK2HSD17B3

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-7888365-B2 Tri-aryl/heteroaromatic cannabinoids and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2011-02-15 US claimed