SCHEMBL3285709

SCHEMBL3285709

C=CC(=O)N(C)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
GSTO1 P78417 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.41
RIPK1 Q13546 1/20 0.41
AOC3 Q16853 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
SCHEMBL491378 0.82 NPC1 (0.65) NPC1RAB9ACA12CA9ALDH1A1
SCHEMBL3282869 0.80 LMNA (0.47) NPC1RAB9ACA12CA9ALDH1A1
SCHEMBL295841 0.80 LMNA (0.53) NPC1RAB9AALDH1A1TSHRGSTO1
SCHEMBL8743153 0.77 GSTO1 (0.47) NPC1RAB9ACA12CA9ALDH1A1
SCHEMBL13198360 0.77 GSTO1 (0.47) NPC1RAB9ACA12CA9TSHR
SCHEMBL28159112 0.77 ALOX5 (0.50) NPC1RAB9ACA12CA9GSTO1
SCHEMBL3281021 0.76 NPC1 (0.47) NPC1RAB9ACA12CA9ALDH1A1
SCHEMBL286790 0.76 LMNA (0.64) NPC1ALDH1A1TSHRLMNA
SCHEMBL28743013 0.75 GSTO1 (0.46) NPC1RAB9ACA12CA9GSTO1
Acrylic Acid SCHEMBL11072293 0.75 ALDH1A1 (0.63) NPC1RAB9ACA12CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US claimed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US claimed
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US disclosed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US disclosed