SCHEMBL13655405

SCHEMBL13655405

O=C(CC1CCC[C@@H]2CCCC(CC1)CC2)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KCNH2 Q12809 1/20 0.48
CYP2D6 P10635 4/20 0.47
CYP1A2 P05177 2/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
LMNA P02545 1/20 0.47
CHRNB2 P17787 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
SLC18A2 Q05940 1/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL2439457 0.88 MAPT (0.56) ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL2632406 0.88 MAPT (0.55) ALDH1A1MAPTL3MBTL1HTR2AKMT2A
SCHEMBL7094216 0.86 EPHX2 (0.57) ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL1278317 0.86 EPHX2 (0.57) ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL28595923 0.86 EPHX2 (0.57) ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL2438485 0.86 EPHX2 (0.57) ALDH1A1MAPTL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL27778609 0.86 MAPT (0.54) ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL27302185 0.79 HSP90AA1 (0.49) ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL28591400 0.79 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1KCNH2CYP2D6
SCHEMBL12173206 0.78 KCNH2 (0.39) ALDH1A1MAPTL3MBTL1KCNH2CYP2D6

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
US-20090268561-A1 Thermoacoustic device TSINGHUA UNIVERSITY (CN) 2009-10-29 US disclosed