SCHEMBL686532

SCHEMBL686532

CCCC[N+]1(CCCC)CCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL829066 1.00 CYP1A2 (0.33) CYP1A2NPC1RAB9ATSHRLMNA
Bromide SCHEMBL8953725 0.97 CYP1A2 (0.32) CYP1A2NPC1RAB9ATSHRLMNA
SCHEMBL2283609 0.97 CYP1A2 (0.32) CYP1A2NPC1RAB9ATSHRLMNA
Water SCHEMBL28465691 0.97 CYP1A2 (0.32) CYP1A2NPC1RAB9ATSHRLMNA
Bromide SCHEMBL8780672 0.97 NPC1 (0.34) CYP1A2NPC1RAB9ATSHRLMNA
Iodide SCHEMBL8953834 0.97 CYP1A2 (0.32) CYP1A2NPC1RAB9ATSHRLMNA
Bromide SCHEMBL10910076 0.97 NPC1 (0.34) CYP1A2NPC1RAB9ATSHRLMNA
SCHEMBL9935050 0.97 CYP1A2 (0.32) CYP1A2NPC1RAB9ATSHRLMNA
Bromide SCHEMBL8780645 0.97 NPC1 (0.34) CYP1A2NPC1RAB9ATSHRLMNA
Hydrochloric Acid SCHEMBL29252439 0.97 CYP1A2 (0.32) CYP1A2NPC1RAB9ATSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1980531-B1 Method for preparing a zeolite having MEL structure IFP Energies Nouvelles (FR) 2012-02-29 EP claimed
EP-1980531-A1 Method for preparing a zeolite having MEL structure IFP (FR) 2008-10-15 EP claimed
EP-1980531-B1 Method for preparing a zeolite having MEL structure IFP Energies Nouvelles (FR) 2012-02-29 EP disclosed
EP-1980531-A1 Method for preparing a zeolite having MEL structure IFP (FR) 2008-10-15 EP disclosed
EP-0619300-B1 Process for the preparation of halogenmethylbenzoyl cyanides and halogenmethyl benzoylcyanides BASF AG (DE) 1996-12-27 EP disclosed
US-5510528-A Preparation of halomethylbenzoly cyanides and novel halomethylbenzoyl cyanides BASF AKTIENGESELLSCHAFT (DE) 1996-04-23 US disclosed
US-5446199-A Preparation of halomethylbenzoyl cyanides and novel halomethylbenzoyl cyanides BASF AKTIENGESELLSCHAFT (DE) 1995-08-29 US disclosed
EP-0619300-A2 Process for the preparation of halogenmethylbenzoyl cyanides and halogenmethyl benzoylcyanides BASF Aktiengesellschaft (DE) 1994-10-12 EP disclosed