SCHEMBL13655442

SCHEMBL13655442

CC(C)CCCC(C)CC(C)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
PGR P06401 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL8094352 0.81 PGR (0.52) NPC1RAB9AHTTMAPTMAPK1
SCHEMBL8935027 0.80 TRPA1 (0.52) NPC1RAB9AHTTMAPTMAPK1
SCHEMBL11170402 0.77 PGR (0.52) NPC1RAB9AHTTMAPTMAPK1
SCHEMBL31253313 0.75 PGR (0.50) NPC1RAB9AHTTMAPTMAPK1
SCHEMBL27730567 0.75 BLM (0.73) BLMLMNA
SCHEMBL9771407 0.75 LMNA (0.46) BLMNPC1RAB9AHTTMAPT
SCHEMBL10836778 0.74 HTT (0.44) BLMNPC1RAB9AHTTMAPT
SCHEMBL11268130 0.74 PGR (0.49) NPC1RAB9AHTTMAPTMAPK1
SCHEMBL11575332 0.73 ADRB2 (0.52) MAPTMAPK1LMNAALDH1A1TDP1
SCHEMBL4994418 0.73 PGR (0.51) NPC1RAB9AHTTMAPTMAPK1

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-20090268562-A1 Thermoacoustic device TSINGHUA UNIVERSITY (CN) 2009-10-29 US disclosed