SCHEMBL2295150

SCHEMBL2295150

C(#Cc1ccc(-c2cc(-c3ccc(C#Cc4ccccc4)cc3)cc(-c3ccc(C#Cc4ccccc4)cc3)c2)cc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.63
CYP1A2 P05177 3/20 0.56
CYP1A1 P04798 1/20 0.56
CYP1B1 Q16678 1/20 0.56
MAPT P10636 2/20 0.54
KCNH2 Q12809 2/20 0.50
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
GRM5 P41594 5/20 0.44
HNF4A P41235 1/20 0.44
FFAR1 O14842 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL5949303 0.92 APP (0.75) APPCYP1A2CYP1A1CYP1B1MAPT
SCHEMBL5886608 0.89 APP (0.71) APPCYP1A2CYP1A1CYP1B1MAPT
SCHEMBL708248 0.89 EGFR (0.53) APPCYP1A2CYP1A1CYP1B1MAPT
SCHEMBL4369819 0.87 APP (0.60) APPCYP1A2CYP1A1CYP1B1MAPT
Methane SCHEMBL28739770 0.86 APP (0.67) APPCYP1A2CYP1A1CYP1B1MAPT
SCHEMBL3797658 0.83 CYP1A1 (0.56) APPCYP1A2CYP1A1CYP1B1MAPT
Diphenylacetylene SCHEMBL21271527 0.83 APP (0.80) APPCYP1A2CYP1A1CYP1B1MAPT
Diphenylacetylene SCHEMBL27926128 0.83 APP (0.80) APPCYP1A2CYP1A1CYP1B1MAPT
SCHEMBL2114741 0.83 APP (0.92) APPCYP1A2CYP1A1CYP1B1MAPT
SCHEMBL15014219 0.80 CYP1A2 (0.58) APPCYP1A2CYP1A1CYP1B1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676890-B2 Method and device for high density data storage INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-06-13 US disclosed
US-20160039965-A1 METHOD AND DEVICE FOR HIGH DENSITY DATA STORAGE INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-02-11 US disclosed
US-9196289-B2 Method and device for high density data storage INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-11-24 US disclosed
EP-2351027-B1 METHOD AND DEVICE FOR HIGH DENSITY DATA STORAGE IBM (US) 2014-12-10 EP disclosed
US-20140301178-A1 METHOD AND DEVICE FOR HIGH DENSITY DATA STORAGE INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-10-09 US disclosed
US-8715804-B2 Method and device for high density data storage INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-05-06 US disclosed
US-20110199887-A1 METHOD AND DEVICE FOR HIGH DENSITY DATA STORAGE INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-08-18 US disclosed
EP-2351027-A1 METHOD AND DEVICE FOR HIGH DENSITY DATA STORAGE International Business Machines Corporation (US) 2011-08-03 EP disclosed
WO-2010046814-A1 METHOD AND DEVICE FOR HIGH DENSITY DATA STORAGE INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-04-29 WO disclosed