SCHEMBL10895414

SCHEMBL10895414

CCCCCCCCCCCCCCCCCC(=O)n1ccnn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.41
▸ CES1 P23141 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ FAAH O00519 1/20 0.41
▸ NAAA Q02083 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GPR84 Q9NQS5 7/20 0.39
▸ PPARG P37231 7/20 0.39
▸ PPARD Q03181 7/20 0.39
▸ PPARA Q07869 7/20 0.39
▸ HDAC11 Q96DB2 5/20 0.39
▸ TSHR P16473 4/20 0.39
▸ PTPN1 P18031 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TLR2 O60603 2/20 0.39
▸ FABP4 P15090 2/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ SLC22A8 Q8TCC7 1/20 0.39

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
SCHEMBL15751967 0.70 MAPT (0.43) FAAHMEN1KMT2AALDH1A1
SCHEMBL5966050 0.69 TBXAS1 (0.47) CES2CES1L3MBTL1FAAHNAAA
SCHEMBL5580070 0.69 TBXAS1 (0.47) CES2CES1L3MBTL1FAAHNAAA
SCHEMBL5579728 0.69 TBXAS1 (0.47) CES2CES1L3MBTL1FAAHNAAA
SCHEMBL20078981 0.69 TBXAS1 (0.47) CES2CES1L3MBTL1FAAHNAAA
SCHEMBL5580017 0.69 TBXAS1 (0.47) CES2CES1L3MBTL1FAAHNAAA
SCHEMBL3199941 0.69 TBXAS1 (0.47) CES2CES1L3MBTL1FAAHNAAA
SCHEMBL6815486 0.69 FAAH (0.41) CES2CES1L3MBTL1FAAHTDP1
SCHEMBL10497975 0.69 FAAH (0.41) CES2CES1L3MBTL1FAAHTDP1
SCHEMBL10497871 0.69 FAAH (0.41) CES2CES1L3MBTL1FAAHTDP1

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-4595458-A Contacting cellulose with dispersion of triazole adduct OLIN CORPORATION (US) 1986-06-17 — — US disclosed
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