SCHEMBL2946642

SCHEMBL2946642

Cc1ccc(C2(C)CC(=O)CC2(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 1/20 0.36
MAOB P27338 4/20 0.35
MAOA P21397 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
HSD11B1 P28845 1/20 0.34
PKM P14618 1/20 0.33
ACHE P22303 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CCR2 P41597 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CYP19A1 P11511 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL12920578 0.76 MAOB (0.39) MGAT2MAOBMAOASLC6A2SLC6A4
SCHEMBL11468647 0.72 ALDH1A1 (0.34) MGAT2MAOBMAOASLC6A2SLC6A4
SCHEMBL29088185 0.69 ALDH1A1 (0.36) MGAT2MAOBMAOASLC6A2SLC6A4
SCHEMBL28349118 0.68 OPRM1 (0.37) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL8117721 0.68 MAOB (0.36) MGAT2MAOBMAOASLC6A2SLC6A4
SCHEMBL156545 0.68 OPRM1 (0.37) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL30105658 0.68 MAOB (0.33) MGAT2MAOBMAOASLC6A2SLC6A4
SCHEMBL4859696 0.68 KDM4E (0.39) MAOAMAPT
SCHEMBL11138307 0.67 NPC1 (0.41) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL15356035 0.67 KMT2A (0.41) MAOBMAOASLC6A2SLC6A4SLC6A3

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-20140031431-A1 PEST-IMPERVIOUS PACKAGING MATERIAL AND PEST-CONTROL COMPOSITION BIOPACK LTD. (IL) 2014-01-30 US disclosed
US-8545906-B2 Pest-impervious packaging material and pest-control composition THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2013-10-01 US disclosed
EP-1576882-B1 Pest-impervoius packaging material and pest-control composition ISRAEL STATE (IL) 2010-10-06 EP disclosed
US-20100236971-A1 PEST-IMPERVIOUS PACKAGING MATERIAL AND PEST-CONTROL COMPOSITION The State of Israel, Ministry of Agriculture & Rural Development, Agricultural Research 2010-09-23 US disclosed
US-7749525-B2 Pest-impervious packaging material and pest-control composition THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION, (A.R.O.), VOLCANI CENTER 2010-07-06 US disclosed
US-20050208157-A1 Pest-impervious packaging material and pest-control composition THE STATE OF ISRAEL-MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT 2005-09-22 US disclosed