SCHEMBL3679608

SCHEMBL3679608

CC1=CC(C)(C)C=C(C)C1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.43
MAOB P27338 10/20 0.43
KDM1A O60341 9/20 0.43
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTR2B P41595 1/20 0.37
CHRNA7 P36544 1/20 0.34
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GFER P55789 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 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
SCHEMBL9224978 0.84 KDM1A (0.47) MAOAMAOBKDM1AKDM4EGAA
SCHEMBL8734945 0.72 MAPT (0.34) MAOAMAOBKDM1AKDM4EGAA
SCHEMBL1432099 0.71 MAPT (0.33) MAOAMAOBKDM1AKDM4EGAA
SCHEMBL9250732 0.70 CYP1A2 (0.42) MAOAMAOBKDM1AKDM4EGAA
SCHEMBL3223717 0.70 CYP1A2 (0.42) MAOAMAOBKDM1AKDM4EGAA
SCHEMBL21847487 0.67 MAOA (0.32) MAOAMAOBKDM1A
SCHEMBL10375585 0.65 ALDH1A1 (0.50) MAOAMAOBKDM1AKDM4EGAA
SCHEMBL9281441 0.64 MAPT (0.46) MAOAMAOBKDM1AKDM4EGAA
SCHEMBL30312019 0.62 KDM1A (0.46) MAOAMAOBKDM1AGAAHTR2B
Methylamine SCHEMBL4256041 0.62 CYP1A2 (0.44) MAOAMAOBKDM1AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172208-A1 METHODS FOR SILVER PROMOTED FLUORINATION OF ORGANIC MOLECULES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-07-05 US disclosed
US-8212090-B2 Methods for silver-promoted fluorination of organic molecules THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-07-03 US disclosed
US-20100152502-A1 METHODS FOR SILVER-PROMOTED FLUORINATION OF ORGANIC MOLECULES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-06-17 US disclosed