SCHEMBL2420649

SCHEMBL2420649

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.38
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
TSHR P16473 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2420818 0.86 ACLY (0.37) ACLYHMGCRCHRM1TBXA2RADRA1A
SCHEMBL2419266 0.81 ACLY (0.36) ACLYTSHRALDH1A1MEN1HPGD
SCHEMBL2424161 0.81 NAAA (0.36) ACLYALDH1A1
SCHEMBL2421283 0.77 KMT2A (0.36) ACLYTSHRMEN1HPGDRECQL
SCHEMBL9312029 0.73 TSHR (0.40) TSHRALDH1A1MEN1RECQLKMT2A
SCHEMBL5705860 0.72 ACLY (0.54) ACLYHMGCRCHRM1TBXA2RADRA1A
SCHEMBL685239 0.72 TSHR (0.36) TSHRALDH1A1RECQLHSD17B10
SCHEMBL12345765 0.70 TSHR (0.42) TSHRALDH1A1MEN1RECQLKMT2A
SCHEMBL2422951 0.70 TSHR (0.36) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL5399550 0.70 LMNA (0.37) TSHRALDH1A1MEN1HPGDRECQL

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