SCHEMBL2424161

SCHEMBL2424161

CCCCOC(=O)COC(=O)C(C)(C)C(O)(CC(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.36
ALDH1A1 P00352 3/20 0.35
PAM P19021 2/20 0.33
ACLY P53396 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ATM Q13315 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DGKA P23743 1/20 0.33
LMNA P02545 1/20 0.32
HSPD1 P10809 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32

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
SCHEMBL2420818 0.85 ACLY (0.37) ALDH1A1ACLY
SCHEMBL2426676 0.85 NAAA (0.35) NAAAALDH1A1PAMACLYHCAR2
SCHEMBL2425075 0.84 PAM (0.35) NAAAALDH1A1PAMACLYHCAR2
SCHEMBL2420649 0.81 ACLY (0.38) ALDH1A1ACLY
SCHEMBL2421481 0.74 NAAA (0.38) NAAAALDH1A1PAMHCAR2ATM
SCHEMBL5382709 0.74 NAAA (0.43) NAAAALDH1A1HCAR2ATMTDP1
SCHEMBL2420303 0.74 PAM (0.36) ALDH1A1PAMACLYATML3MBTL1
SCHEMBL17717773 0.72 NAAA (0.44) NAAAALDH1A1HCAR2ATMTDP1
SCHEMBL2419088 0.72 MEN1 (0.38) PAMACLYATMTDP1L3MBTL1
SCHEMBL2421190 0.71 ALDH1A1 (0.37) ALDH1A1ACLYHCAR2ATMS1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1491523-B1 ESTER COMPOUND, PLASTICIZER FOR BIODEGRADABLE ALIPHATIC POLYESTER RESIN, AND BIODEGRADABLE RESIN COMPOSITION DAIHACHI CHEM IND (JP) 2011-09-14 EP claimed
US-7166654-B2 Ester compound, plasticizer for biodegradable aliphatic polyester resin, and biodegradable resin composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-01-23 US claimed
EP-1491523-B1 ESTER COMPOUND, PLASTICIZER FOR BIODEGRADABLE ALIPHATIC POLYESTER RESIN, AND BIODEGRADABLE RESIN COMPOSITION DAIHACHI CHEM IND (JP) 2011-09-14 EP disclosed
EP-2202267-A1 Plasticizer for biodegradable aliphatic polyester resins, and biodegradable resin composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-06-30 EP disclosed
US-7166654-B2 Ester compound, plasticizer for biodegradable aliphatic polyester resin, and biodegradable resin composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-01-23 US disclosed
US-20050228092-A1 Ester compound, plasticizer for bioegradable aliphatic polyester resin, and biodegradable resin composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-10-13 US disclosed