SCHEMBL3286358

SCHEMBL3286358

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
RIPK1 Q13546 2/20 0.40
TSPO P30536 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MGLL Q99685 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3281021 0.80 NPC1 (0.47) LMNAALDH1A1NPC1RAB9ACA12
SCHEMBL1629312 0.78 LMNA (0.55) LMNAALDH1A1NPC1RAB9ACA12
SCHEMBL628573 0.78 RIPK1 (0.53) LMNAALDH1A1NPC1RAB9ACA12
SCHEMBL3282869 0.77 LMNA (0.47) LMNAALDH1A1NPC1RAB9ACA12
SCHEMBL3279017 0.77 ALDH1A1 (0.46) LMNAALDH1A1NPC1RAB9ATSHR
SCHEMBL9906098 0.76 LMNA (0.53) LMNAALDH1A1NPC1RAB9ACA12
SCHEMBL2836935 0.76 NPC1 (0.59) ALDH1A1NPC1RAB9ACA12CA9
SCHEMBL28003418 0.75 ALDH1A1 (0.44) LMNAALDH1A1NPC1RAB9ATSHR
SCHEMBL633119 0.74 TDP1 (0.32)
SCHEMBL28435736 0.73 NPC1 (0.43) LMNAALDH1A1NPC1RAB9ACA12

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