SCHEMBL16714822

SCHEMBL16714822

CCCCCCCCC=CCCCCCCCC(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.82
LMNA P02545 1/20 0.82
RAB9A P51151 1/20 0.82
SMN1; SMN2 Q16637 1/20 0.82
SOAT2 O75908 1/20 0.72
SOAT1 P35610 1/20 0.72
PSMB11 A5LHX3 2/20 0.67
PSMA7 O14818 2/20 0.67
PSMB1 P20618 2/20 0.67
PSMA1 P25786 2/20 0.67
PSMA2 P25787 2/20 0.67
PSMA3 P25788 2/20 0.67
PSMA4 P25789 2/20 0.67
PSMB8 P28062 2/20 0.67
PSMB9 P28065 2/20 0.67
PSMA5 P28066 2/20 0.67
PSMB4 P28070 2/20 0.67
PSMB6 P28072 2/20 0.67
PSMB5 P28074 2/20 0.67
PSMB10 P40306 2/20 0.67

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
SCHEMBL16714818 1.00 NPC1 (0.82) NPC1LMNARAB9ASMN1; SMN2SOAT2
SCHEMBL7203505 0.91 RAB9A (1.00) NPC1LMNARAB9ASMN1; SMN2SOAT2
SCHEMBL11418581 0.90 NPC1 (0.66) NPC1LMNARAB9ASMN1; SMN2SOAT2
SCHEMBL11418584 0.90 NPC1 (0.66) NPC1LMNARAB9ASMN1; SMN2SOAT2
SCHEMBL28931481 0.87 RAB9A (0.91) NPC1LMNARAB9ASMN1; SMN2HDAC1
SCHEMBL29379899 0.84 SOAT2 (1.00) SOAT2SOAT1PSMB11PSMA7PSMB1
Oleic Acid Anilide SCHEMBL4143904 0.84 SOAT2 (1.00) SOAT2SOAT1PSMB11PSMA7PSMB1
Oleic Acid Anilide SCHEMBL4143902 0.84 SOAT2 (1.00) SOAT2SOAT1PSMB11PSMA7PSMB1
SCHEMBL28882029 0.84 RAB9A (0.81) NPC1LMNARAB9ASMN1; SMN2HDAC1
SCHEMBL9310867 0.82 SOAT2 (0.67) NPC1LMNARAB9ASMN1; SMN2SOAT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150140588-A1 Lipase Variants and Polynucleotides Encoding Same NOVOZYMES A/S (DK) 2015-05-21 US disclosed
CN-103827298-A Lipase variants and polynucleotides encoding same NOVOZYMES AS 2014-05-28 CN disclosed