SCHEMBL6811532

SCHEMBL6811532

C=CC(CCCCCBr)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
TGM2 P21980 1/20 0.33
KMT2A Q03164 3/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
HDAC2 Q92769 2/20 0.32
IDO1 P14902 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
SLC6A4 P31645 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 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
SCHEMBL8709152 1.00 TSHR (0.33) TSHRTGM2KMT2ASLC1A3SLC1A2
SCHEMBL8711766 0.94 TSHR (0.35) TSHRTGM2KMT2ASLC1A3SLC1A2
SCHEMBL27947130 0.87 TSHR (0.38) TSHRKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL8707834 0.85 TSHR (0.33) TSHRTGM2KMT2ASLC1A3SLC1A2
SCHEMBL6678199 0.85 CETP (0.42)
SCHEMBL6675434 0.83 CETP (0.40)
SCHEMBL11733830 0.83 CETP (0.40)
SCHEMBL7763433 0.81 FAAH (0.37) TSHRKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL6120141 0.80 TSHR (0.40) TSHRKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL9116199 0.79 TSHR (0.39) TSHRKMT2ASLC1A3SLC1A2SLC1A1

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
EP-0764667-B1 FUNCTION-CONTAINING POROUS RESIN AND PROCESS FOR THE PRODUCTION THEREOF ARAKAWA CHEM IND (JP) 2004-12-08 EP disclosed
US-5731395-A POLYMER CONTAINING DIVINYLBENZENE AND STYRENE COMPOUND ARAKAWA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-24 US disclosed
EP-0764667-A1 FUNCTION-CONTAINING POROUS RESIN AND PROCESS FOR THE PRODUCTION THEREOF ARAKAWA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-26 EP disclosed