SCHEMBL20143905

SCHEMBL20143905

C=CC(=O)N(C)/C=C/C(=O)N(CC)CC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
BCHE P06276 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
MAOB P27338 1/20 0.31
LMNA P02545 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL14880 0.79
SCHEMBL3029444 0.77 NPC1 (0.46) NPC1L3MBTL1ALDH1A1TRPM8BCHE
SCHEMBL3029447 0.77 NPC1 (0.46) NPC1L3MBTL1ALDH1A1TRPM8BCHE
Ammonia Solution, Strong SCHEMBL28481040 0.77 ZDHHC20 (0.43) NPC1L3MBTL1ZDHHC20ZDHHC2ALDH1A1
SCHEMBL2139586 0.75 ZDHHC20 (0.40) NPC1L3MBTL1ZDHHC20ZDHHC2ALDH1A1
SCHEMBL8811631 0.75 LMNA (0.39) ALDH1A1TSHRLMNA
SCHEMBL19006149 0.74 ALDH1A1 (0.36) ZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL28084768 0.74 ZDHHC20 (0.39) NPC1L3MBTL1ZDHHC20ZDHHC2ALDH1A1
SCHEMBL20649365 0.74 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL11785421 0.74 NPC1 (0.43) NPC1L3MBTL1ZDHHC20ZDHHC2ALDH1A1

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-9971066-B2 Polarizing plate LG CHEM, LTD (KR) 2018-05-15 US disclosed