SCHEMBL6086167

SCHEMBL6086167

Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cccc(Br)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.33
ACKR3 P25106 1/20 0.33
HPGD P15428 5/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 3/20 0.32
XBP1 P17861 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 3/20 0.31
MEN1 O00255 2/20 0.31
TSHR P16473 2/20 0.31
HTT P42858 2/20 0.31
PSMD14 O00487 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE5A O76074 1/20 0.31
PDE9A O76083 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL6086926 0.89 PDE5A (0.34) TLR7HPGDKMT2AALDH1A1XBP1
SCHEMBL6086584 0.86 DCTPP1 (0.34) TLR7ACKR3HPGDKMT2AALDH1A1
SCHEMBL6087851 0.85 GRIN1 (0.45) TLR7TPH1TPH2
SCHEMBL6087165 0.84 PDE10A (0.37) ALDH1A1KDM4E
SCHEMBL7848304 0.84 TLR7 (0.33) TLR7ACKR3KMT2AALDH1A1KDM4E
SCHEMBL6086817 0.82 HPGD (0.43) TLR7HPGDKMT2AALDH1A1XBP1
SCHEMBL6087128 0.81 TPH1 (0.34) TLR7HPGDKMT2AALDH1A1KDM4E
SCHEMBL6087068 0.81 DAO (0.46) TLR7HPGDKMT2AALDH1A1NPSR1
SCHEMBL6087770 0.80 TYMS (0.37) TLR7HPGDKMT2AALDH1A1MEN1
SCHEMBL6086447 0.80 MTNR1A (0.49) HPGDKMT2AALDH1A1MEN1TSHR

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-6987114-B1 Antiviral pyrimidinedione derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD (KR) 2006-01-17 US disclosed