SCHEMBL2761663

SCHEMBL2761663

O=C(Cl)CCC(CCC(=O)Cl)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
RAB9A P51151 3/20 0.50
ATM Q13315 3/20 0.50
MAPK1 P28482 3/20 0.50
HTT P42858 2/20 0.50
NPC1 O15118 2/20 0.50
MDM2 Q00987 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
HIF1A Q16665 2/20 0.43
CES1 P23141 3/20 0.42
CES2 O00748 2/20 0.42
TSHR P16473 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TRPA1 O75762 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL6821357 0.84 CPA3 (0.56) MAPTRAB9AATMMAPK1HTT
SCHEMBL29066943 0.83 MDM2 (0.43) MAPTRAB9AATMMAPK1HTT
Hydrochloric Acid SCHEMBL2761665 0.82 MAPT (0.56) MAPTRAB9AATMMAPK1HTT
Hydrochloric Acid SCHEMBL11517845 0.82 MAPT (0.56) MAPTRAB9AATMMAPK1HTT
SCHEMBL2761664 0.80 RAB9A (0.46) MAPTRAB9AATMMAPK1HTT
SCHEMBL7714554 0.77 NPC1 (0.50) MAPTRAB9AATMMAPK1HTT
SCHEMBL9889372 0.76 MAPT (0.58) MAPTRAB9AATMMAPK1HTT
SCHEMBL760303 0.75 MAPK1 (0.52) MAPTRAB9AATMMAPK1HTT
SCHEMBL8813761 0.74 CPA3 (0.59) CYP1A2CPA3
SCHEMBL8108452 0.74 GSK3B (0.36) MAPTRAB9AATMMAPK1HTT

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-8484792-B2 Cleaning tool UNICHARM CORPORATION (JP) 2013-07-16 US disclosed
US-20100306937-A1 CLEANING TOOL EHIME PREFECTURAL GOVERNMENT (JP) 2010-12-09 US disclosed
US-4145516-A INCORPORATING A DIOL CONTAINING A KETONE CARBONYL THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 1979-03-20 US disclosed