SCHEMBL737836

SCHEMBL737836

CCC(C1=Cc2ccccc2C1)C1=Cc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ACHE P22303 1/20 0.38
PTGS2 P35354 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP11B1 P15538 1/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
HTR2A P28223 2/20 0.34
HRH1 P35367 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL3691922 0.80 MAOA (0.44) MAOAMAOBACHEMTNR1AMTNR1B
SCHEMBL7612685 0.79 PNMT (0.38) PTGS2MTNR1AMTNR1BDRD2DRD4
SCHEMBL30018454 0.78 PTGS2 (0.41) MAOAMAOBACHEPTGS2CYP11B2
SCHEMBL4652068 0.78 PTGS2 (0.41) MAOAMAOBACHEPTGS2CYP11B2
SCHEMBL1577597 0.78 PTGS2 (0.41) MAOAMAOBACHEPTGS2CYP11B2
Hydrochloric Acid SCHEMBL7609317 0.78 PNMT (0.38) PTGS2MTNR1AMTNR1BDRD2DRD4
Hydrochloric Acid SCHEMBL7610603 0.78 PNMT (0.38) PTGS2MTNR1AMTNR1BDRD2DRD4
SCHEMBL9272850 0.77 DPP8 (0.32) HTR2A
SCHEMBL9075944 0.76 CYP3A4 (0.34)
SCHEMBL27587040 0.76 PTGS2 (0.40) MAOAMAOBACHEPTGS2CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038315-B1 PROCESS FOR PREPARING POLYMERS FROM 3-METHYLBUT-1-ENE EVONIK DEGUSSA GMBH (DE) 2013-10-23 EP disclosed
US-8202959-B2 Process for preparing polymers from 3-methylbut-1-ene EVONIK OXENO GMBH (DE) 2012-06-19 US disclosed
US-8138293-B2 Process for preparing polymers from 3-methylbut-1-ene EVONIK OXENO GMBH (DE) 2012-03-20 US disclosed
US-20110201767-A1 PROCESS FOR PREPARING POLYMERS FROM 3-METHYLBUT-1-ENE EVONIK OXENO GMBH (DE) 2011-08-18 US disclosed
US-20090203858-A1 PROCESS FOR PREPARING POLYMERS FROM 3-METHYLBUT-1-ENE EVONIK OXENO GMBH (DE) 2009-08-13 US disclosed
US-5612462-A Process for preparing bridged stereorigid metallocenes WITCO GMBH (DE) 1997-03-18 US disclosed
US-5545785-A Process for preparing biscyclopentadienyl compounds WITCO GMBH (DE) 1996-08-13 US disclosed
US-5543535-A Organotin compounds useful in preparing bridged stereorigid metallocenes WITCO GMBH (DE) 1996-08-06 US disclosed
US-5474716-A Process for the preparation of bridged cyclopentadienylmagnesium compounds and use thereof for preparing metallocenes WITCO GMBH (DE) 1995-12-12 US disclosed
US-5453221-A Bridged cyclopentadienylmagnesium compounds and use thereof for preparing metallocenes WITCO GMBH (DE) 1995-09-26 US disclosed