SCHEMBL2493913

SCHEMBL2493913

CCCCCCCC(C)N(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
NPC1 O15118 1/20 0.41
JAK2 O60674 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR2A P28223 1/20 0.39
KCNH2 Q12809 2/20 0.39
ASAH1 Q13510 1/20 0.38
ACER2 Q5QJU3 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
NAAA Q02083 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL28068560 1.00 CSNK1E (0.41) CSNK1EALDH1A1SIGMAR1NPC1JAK2
SCHEMBL571119 1.00 CSNK1E (0.41) CSNK1EALDH1A1SIGMAR1NPC1JAK2
SCHEMBL30691822 0.98 SIGMAR1 (0.42) CSNK1EALDH1A1SIGMAR1NPC1JAK2
SCHEMBL11073253 0.92 KDM4A (0.39) CSNK1EALDH1A1NPC1JAK2RAB9A
SCHEMBL3457890 0.91 ALDH1A1 (0.46) CSNK1EALDH1A1SIGMAR1NPC1JAK2
SCHEMBL22483462 0.90 CYP2C19 (0.39) CSNK1EALDH1A1SIGMAR1NPC1JAK2
SCHEMBL28737807 0.89 ALDH1A1 (0.47) CSNK1EALDH1A1SIGMAR1NPC1JAK2
SCHEMBL5226408 0.87 CSNK1E (0.42) CSNK1EALDH1A1SIGMAR1NPC1JAK2
SCHEMBL5223757 0.87 CSNK1E (0.42) CSNK1EALDH1A1SIGMAR1NPC1JAK2
SCHEMBL16874340 0.87 TSHR (0.42) CSNK1EALDH1A1SIGMAR1NPC1JAK2

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
EP-1730101-B1 ALKYLATED PANA AND DPA COMPOSITIONS BASF SE (DE) 2015-11-18 EP disclosed
US-8030259-B2 Antioxidant; heat resistance; photostability mixture; stabilization of material CIBA SPECIALITY CHEMICALS CORP. (US) 2011-10-04 US disclosed
US-20080274925-A1 Alkylated Pana and Dpa Compositions CIBA SPECIALTY CHEMICALS CORP. 2008-11-06 US disclosed