SCHEMBL3282869

SCHEMBL3282869

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
GSTO1 P78417 1/20 0.42
ALDH1A1 P00352 1/20 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
BCL2A1 Q16548 1/20 0.39

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
SCHEMBL3285709 0.80 NPC1 (0.47) LMNAGSTO1ALDH1A1NPC1RAB9A
SCHEMBL286790 0.80 LMNA (0.64) LMNAALDH1A1NPC1TSHRMAPK1
SCHEMBL3286358 0.77 LMNA (0.47) LMNAALDH1A1NPC1RAB9ACA12
SCHEMBL295841 0.77 LMNA (0.53) LMNAGSTO1ALDH1A1NPC1RAB9A
SCHEMBL3280077 0.77 ALDH1A1 (0.46) ALDH1A1NPC1RAB9ATSHRBCL2A1
SCHEMBL491378 0.76 NPC1 (0.65) ALDH1A1NPC1RAB9ACA12CA9
SCHEMBL1903729 0.74 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL8743153 0.74 GSTO1 (0.47) LMNAGSTO1ALDH1A1NPC1RAB9A
SCHEMBL13198360 0.74 GSTO1 (0.47) LMNAGSTO1NPC1RAB9ACA12
SCHEMBL28159112 0.74 ALOX5 (0.50) GSTO1NPC1RAB9ACA12CA9

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