SCHEMBL28115952

SCHEMBL28115952

CCCCCCCCCCCCCCCCCCCCCC(N)OC(=O)C(C)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.48
FAAH O00519 1/20 0.45
GRIK1 P39086 2/20 0.45
GRIK2 Q13002 2/20 0.45
ABCB1 P08183 1/20 0.44
GPR84 Q9NQS5 4/20 0.44
CA1 P00915 2/20 0.44
FFAR1 O14842 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
OPRM1 P35372 1/20 0.42
CYP2D6 P10635 2/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42

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
SCHEMBL10968809 1.00 SPHK1 (0.48) SPHK1FAAHGRIK1GRIK2ABCB1
SCHEMBL5596114 1.00 SPHK1 (0.48) SPHK1FAAHGRIK1GRIK2ABCB1
SCHEMBL515374 0.91 FAAH (0.46) FAAHFFAR1TP53KDM4ECYP1A2
SCHEMBL11576918 0.87 FAAH (0.46) SPHK1FAAHGRIK1GRIK2ABCB1
SCHEMBL3626496 0.85 HTT (0.41) SPHK1FAAHMAPTCYP1A2CYP3A4
SCHEMBL4941100 0.85 METAP1 (0.35) SPHK1FAAHGRIK1GRIK2ABCB1
SCHEMBL9844039 0.83 FAAH (0.49) FAAH
SCHEMBL3320520 0.81 FAAH (0.65) FAAHABCB1GPR84CA1FFAR1
SCHEMBL15169702 0.81 FAAH (0.47) FAAHABCB1GPR84CA1FFAR1
SCHEMBL297615 0.81 FAAH (0.47) FAAHABCB1GPR84CA1FFAR1

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
CN-106164040-B High-performance water dilution type oiliness additive for the application of polymetallic intermetallic composite coating 埃瑟克斯化学有限责任公司 2018-12-04 CN disclosed
CN-106164040-A The high-performance water dilution type oiliness additive applied for polymetallic intermetallic composite coating 埃瑟克斯化学有限责任公司 2016-11-23 CN disclosed