Hexane

Hexane

SCHEMBL27451963

CCCCCC.CCCCCCCCCCCCCCCCC(C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.51

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.51
CES1 P23141 3/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP12 P39900 1/20 0.51
PRSS1 P07477 2/20 0.50
CTSG P08311 2/20 0.50
CTRB1 P17538 2/20 0.50
CMA1 P23946 2/20 0.50
NAAA Q02083 1/20 0.50
MDM2 Q00987 1/20 0.49
GPR84 Q9NQS5 3/20 0.47
FFAR1 O14842 1/20 0.47
MAPT P10636 1/20 0.46
LCK P06239 1/20 0.46
PPARD Q03181 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL9352414 1.00 CES2 (0.51) CES2CES1MMP2MMP9MMP12
SCHEMBL9352928 1.00 CES2 (0.51) CES2CES1MMP2MMP9MMP12
SCHEMBL28274106 1.00 CES2 (0.51) CES2CES1MMP2MMP9MMP12
SCHEMBL9356264 1.00 CES2 (0.51) CES2CES1MMP2MMP9MMP12
SCHEMBL10710461 1.00 CES2 (0.51) CES2CES1MMP2MMP9MMP12
SCHEMBL9356276 1.00 CES2 (0.51) CES2CES1MMP2MMP9MMP12
SCHEMBL8857493 1.00 CES2 (0.51) CES2CES1MMP2MMP9MMP12
SCHEMBL9352547 0.98 CES2 (0.50) CES2CES1MMP2MMP9MMP12
SCHEMBL10456426 0.95 CES2 (0.53) CES2CES1MMP2MMP9MMP12
SCHEMBL30979218 0.95 CES2 (0.53) CES2CES1MMP2MMP9MMP12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1078974-A Long-term heat stabilized polymer article and preparation method thereof M & T CHEMICALS INC (US) 1993-12-01 CN disclosed
CN-1078480-A The composition and method of making the same that contains the stabiliser composition of halogen-containing thermoplastic polymer M & T CHEMICALS INC (US) 1993-11-17 CN disclosed
CN-1052124-A IMPROVED STABILIZERS FOR HALOGEN-CONTAINING POLYMERS M & T CHEMICALS INC (US) 1991-06-12 CN disclosed