SCHEMBL7004461

SCHEMBL7004461

Cc1ccc(OCC(C)C)cc1-c1nccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
SCN9A Q15858 5/20 0.43
CYP2A6 P11509 1/20 0.39
PDK2 Q15119 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR1 O14842 1/20 0.36
PPARD Q03181 1/20 0.36
TLR8 Q9NR97 1/20 0.36
S1PR1 P21453 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
DRD1 P21728 2/20 0.35
BTK Q06187 1/20 0.35

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
SCHEMBL7003794 0.86 SCN9A (0.45) SCN9ACYP2A6MEN1KMT2AS1PR1
SCHEMBL7005329 0.85 SCN9A (0.42) MAOASCN9ACYP2A6KMT2AKDM4E
SCHEMBL7007753 0.83 SCN9A (0.40) MAOASCN9ACYP2A6KMT2ATLR8
SCHEMBL7007771 0.83 SCN9A (0.46) MAOASCN9ACYP2A6LMNA
SCHEMBL7005201 0.82 SCN9A (0.43) MAOASCN9ACYP2A6PDK2KMT2A
SCHEMBL7003795 0.81 SCN9A (0.57) SCN9ACYP2A6KMT2AKDM4EALDH1A1
SCHEMBL18753201 0.77 CYP2A6 (0.49) MAOASCN9ACYP2A6MEN1KMT2A
SCHEMBL7005310 0.77 CYP2A6 (0.38) SCN9ACYP2A6KMT2AS1PR1HTR1A
SCHEMBL15668159 0.74 CYP2A6 (0.46) CYP2A6KMT2AKDM4EALDH1A1LMNA
SCHEMBL12319848 0.73 KDM4E (0.49) SCN9ACYP2A6KMT2AS1PR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012064499-A1 PHOSPHORESCENT MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2012-05-18 WO disclosed