SCHEMBL6348663

SCHEMBL6348663

CC(Cc1cccc(CC(C)OOO)c1)OOO

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.42
SLC6A2 P23975 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
SLC7A5 Q01650 2/20 0.41
PNMT P11086 1/20 0.40
TRPA1 O75762 2/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL27904864 0.88 TAAR1 (0.50) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL27957249 0.87 ALOX15 (0.31) SLC6A2SLC6A3TRPA1HTR2AHTR2B
SCHEMBL2969179 0.83 TAAR1 (0.45) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL8675590 0.77 TAAR1 (0.40) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL2969909 0.77 TAAR1 (0.40) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL44955 0.77 TAAR1 (0.50) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL9897167 0.74 SIGMAR1 (0.39) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL7931041 0.74 SLC7A5 (0.40) TAAR1SLC7A5PNMT
SCHEMBL1256615 0.73 SIGMAR1 (0.58) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL28217047 0.73 SIGMAR1 (0.58) TAAR1SLC6A2MAOASLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960698-B2 Method for treating tar SUMITOMO CHEMICAL COMPNAY, LIMTED (JP) 2005-11-01 US disclosed
US-20030183557-A1 Method for treating tar SUMITOMO CHEMICAL COMPANY, LIMITED 2003-10-02 US disclosed