Ethane

Ethane

SCHEMBL28253356

CC.NCc1cc(O)c(C2CCCCC2)cc1-c1cccc(-c2cc(C3CCCCC3)c(O)cc2CN)c1O

nearest known ligand 0.44

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.35
▸ PTPN5 P54829 4/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ FEN1 P39748 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HTR2A P28223 2/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ PABPC1 P11940 1/20 0.31
▸ DRD1 P21728 2/20 0.31

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
Ethane SCHEMBL28105966 0.90 NUDT1 (0.44) NUDT1BACE1HSP90AA1PTPN5PTPN2
Ethane SCHEMBL28252614 0.84 NUDT1 (0.44) NUDT1BACE1HSP90AA1FEN1KDM4E
Ethane SCHEMBL28119304 0.82 NUDT1 (0.44) NUDT1BACE1HSP90AA1HTR2APTGS2
Ethane SCHEMBL27615405 0.81 NUDT1 (0.46) NUDT1BACE1HSP90AA1HTR2APTGS2
Ethane SCHEMBL28106473 0.74 BACE1 (0.44) NUDT1BACE1HSP90AA1HTR2APTGS2
SCHEMBL28207069 0.73 NUDT1 (0.41) NUDT1BACE1HSP90AA1HTR2A
Ethane SCHEMBL28278519 0.73 PTPN5 (0.46) NUDT1BACE1HSP90AA1PTPN5PTPN2
SCHEMBL27474169 0.73 NUDT1 (0.48) NUDT1BACE1HSP90AA1KDM4EMEN1
SCHEMBL27522228 0.72 NUDT1 (0.48) NUDT1BACE1HSP90AA1HTR2APABPC1
SCHEMBL27870516 0.72 NUDT1 (0.45) NUDT1BACE1HSP90AA1HDAC4HDAC2

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
CN-104423168-B Positive photosensitive resin composition and pattern forming method thereof 奇美实业股份有限公司 2018-11-30 — — CN disclosed
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