SCHEMBL6677459

SCHEMBL6677459

CON(C)C(=O)C=Cc1cccc2c1CC(C)(C)O2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.35
KDM4E B2RXH2 3/20 0.35
CCR8 P51685 2/20 0.34
KCNH2 Q12809 2/20 0.34
NFE2L2 Q16236 3/20 0.33
ALOX5 P09917 2/20 0.33
KMT2A Q03164 1/20 0.32
APP P05067 1/20 0.32
TFEB P19484 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOB P27338 2/20 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
SCHEMBL6677454 1.00 TRPM8 (0.35) TRPM8KDM4ECCR8KCNH2NFE2L2
SCHEMBL6677372 0.83 KDM4E (0.51) KDM4ECCR8KCNH2ALOX5SMN1; SMN2
SCHEMBL6677378 0.83 KDM4E (0.51) KDM4ECCR8KCNH2ALOX5SMN1; SMN2
SCHEMBL8485481 0.79 KDM4E (0.50) KDM4ECCR8KCNH2ALOX5SMN1; SMN2
SCHEMBL8485488 0.79 KDM4E (0.50) KDM4ECCR8KCNH2ALOX5SMN1; SMN2
SCHEMBL6678855 0.78 KDM4E (0.43) TRPM8KDM4ENFE2L2ALOX5KMT2A
SCHEMBL6678862 0.78 KDM4E (0.43) TRPM8KDM4ENFE2L2ALOX5KMT2A
SCHEMBL6680616 0.75 KDM4E (0.40) TRPM8KDM4ENFE2L2KMT2ATFEB
SCHEMBL6680613 0.75 KDM4E (0.40) TRPM8KDM4ENFE2L2KMT2ATFEB
SCHEMBL6681031 0.75 KDM4E (0.37) TRPM8KDM4ENFE2L2ALOX5KMT2A

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
EP-1027043-B1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-11-10 EP disclosed
EP-1027043-A4 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2002-02-20 EP disclosed
EP-1027043-A1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS Bristol-Myers Squibb Company (US) 2000-08-16 EP disclosed
US-6060506-A FOR TREATMENT OF SLEEP DISORDERS, CIRCADIAN RHYTHM DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-09 US disclosed
US-5981571-A USEFUL AS MELATONERGIC AGENTS IN THE TREATMENT OF SLEEP DISORDERS, SEASONAL DEPRESSION, SHIFTS IN CIRCADIAN CYCLES, MELANCHOLIA, STRESS, APPETITE REGULATION, BENIGN PROSTATIC HYPERPLASIA AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-11-09 US disclosed
WO-1998025606-A1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-18 WO disclosed