Decane

Decane

SCHEMBL28162902

CCCCCCCCCC.CCCCCCCCCCCCOc1c(-c2ccccc2)c2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3.NC(=O)c1ccccc1

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ PTPN11 Q06124 2/20 0.36
▸ CCNB2 O95067 1/20 0.36
▸ CCNE2 O96020 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36

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
Benzamide SCHEMBL28168315 1.00 CNR2 (0.38) CNR2MEN1CYP3A4KMT2ANR1I2
Benzamide SCHEMBL28168439 1.00 CNR2 (0.38) CNR2MEN1CYP3A4KMT2ANR1I2
SCHEMBL28169160 0.91 STAT3 (0.42) CNR2LMNAMAPTSTAT3STAT1
SCHEMBL28087191 0.91 STAT3 (0.42) CNR2LMNAMAPTSTAT3STAT1
Methacrylic Acid SCHEMBL28801315 0.88 CNR2 (0.36) CNR2MEN1CYP3A4KMT2APTPN11
Benzamide SCHEMBL28195879 0.83 DHODH (0.32) CNR2PTPN11THRATHRB
SCHEMBL28801306 0.82 STAT3 (0.42) HDAC6STAT3STAT1PDE5A
SCHEMBL28101123 0.80 STAT3 (0.40) STAT3STAT1
SCHEMBL28275582 0.79 STAT3 (0.46) CNR2CYP3A4LMNAMAPTSTAT3
SCHEMBL28059974 0.77 STAT3 (0.44) LMNAMAPTSTAT3STAT1PDE4A

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-107043388-A Dodecyloxy phenyl porphyrin benzamide decane Ya An perylene decane imines hexyloxy benzophenanthrene ternary compounds 桂林理工大学 2017-08-15 — — CN disclosed
CN-107043388-A Dodecyloxy phenyl porphyrin benzamide decane Ya An perylene decane imines hexyloxy benzophenanthrene ternary compounds 桂林理工大学 2017-08-15 — — CN disclosed
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