SCHEMBL7741972

SCHEMBL7741972

COc1ccc(CCCCCCCCBr)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.58
IGF1R P08069 1/20 0.56
ALOX15 P16050 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TAAR1 Q96RJ0 1/20 0.53
ALOX5 P09917 1/20 0.49
MAOB P27338 2/20 0.48
SIGMAR1 Q99720 1/20 0.47
AOC3 Q16853 1/20 0.47
IDO1 P14902 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46

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
SCHEMBL7620035 1.00 CALM1 (0.58) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL8073052 1.00 CALM1 (0.58) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL6682756 1.00 CALM1 (0.58) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL8071157 1.00 CALM1 (0.58) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL11462164 1.00 CALM1 (0.58) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL8070931 1.00 CALM1 (0.58) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL3106320 0.98 CALM1 (0.60) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL80083 0.92 CALM1 (0.62) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL9574323 0.91 TDP1 (0.63) CALM1IGF1RALOX15TDP1L3MBTL1
SCHEMBL11007798 0.89 CALM1 (0.69) CALM1IGF1RALOX15TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417192-B1 DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-09 US disclosed
US-6063940-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-16 US disclosed
US-5637736-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-10 US disclosed
US-5428065-A Treating central nervous system disorders LILLY INDUSTRIES LIMITED (GB) 1995-06-27 US disclosed
EP-0645370-A1 Substituted m-xylylene diamines for the treatment of diseases of the central nervous system LILLY INDUSTRIES LIMITED (GB) 1995-03-29 EP disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 EP disclosed