SCHEMBL4454835

SCHEMBL4454835

CCCP(=O)(OC1CCCCC1)OC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NAAA Q02083 2/20 0.37
EPHX1 P07099 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.31
TERT O14746 1/20 0.31
UCHL3 P15374 1/20 0.31
AKT1 P31749 1/20 0.31
MAPK14 Q16539 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30

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
SCHEMBL575240 0.90 ACHE (0.43) ACHEMEN1KMT2ANAAAEPHX1
SCHEMBL4456145 0.89 TSHR (0.33) ACHETERTUCHL3AKT1MAPK14
SCHEMBL575371 0.89 ACHE (0.42) ACHEMEN1KMT2ANAAAEPHX1
SCHEMBL4451300 0.88 ACHE (0.44) ACHEMEN1KMT2ANAAAEPHX1
SCHEMBL575339 0.88 ACHE (0.40) ACHEMEN1KMT2ANAAAEPHX1
SCHEMBL6361086 0.87 ACHE (0.48) ACHEMEN1KMT2AEPHX1NPSR1
SCHEMBL18628633 0.84 ACHE (0.39) ACHEMEN1KMT2ANAAAEPHX1
SCHEMBL9249996 0.84 NAAA (0.43) ACHENAAATERTUCHL3AKT1
SCHEMBL575597 0.83 ACHE (0.47) ACHEMEN1KMT2ANAAAEPHX1
SCHEMBL575338 0.83 ACHE (0.38) ACHEMEN1KMT2ANAAANPSR1

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-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed