SCHEMBL11299455

SCHEMBL11299455

C=CC(OC(=O)N(CCCCCC)CCCCCC)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
JAK2 O60674 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
TACR1 P25103 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CNR2 P34972 1/20 0.39
ICMT O60725 1/20 0.38
ALB P02768 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
SCHEMBL11265555 0.76 ALDH1A1 (0.38) RAB9A
SCHEMBL1564204 0.72 ZDHHC20 (0.44) NPC1JAK2RAB9APAX8TACR1
SCHEMBL1562573 0.72 ZDHHC20 (0.44) NPC1JAK2RAB9APAX8TACR1
SCHEMBL25430781 0.72 ALDH1A1 (0.44)
SCHEMBL6754891 0.72 MEN1 (0.51) NPC1JAK2RAB9APAX8TACR1
SCHEMBL3918092 0.71 ALDH1A1 (0.41) CNR2
SCHEMBL27492571 0.69 ZDHHC20 (0.43) NPC1JAK2RAB9APAX8ICMT
SCHEMBL25801927 0.69 L3MBTL1 (0.63)
SCHEMBL1962811 0.69 CA14 (0.55)
SCHEMBL133198 0.69 CA14 (0.55)

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-4330479-A ZINC OR ALUMINUM CATALYST BASF AKTIENGESELLSCHAFT (DE) 1982-05-18 US disclosed