SCHEMBL27769860

SCHEMBL27769860

CCCCOS(=O)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RECQL P46063 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
FAAH O00519 5/20 0.38

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
SCHEMBL27404268 0.92 LTA4H (0.47) LTA4HTSHRSMN1; SMN2FAAH
SCHEMBL27748560 0.89 LTA4H (0.40) LTA4HSMN1; SMN2L3MBTL1
SCHEMBL11221419 0.81 LTA4H (0.41) LTA4HTSHRTDP1L3MBTL1
SCHEMBL778702 0.78 TAAR1 (0.36) LTA4HTSHRRECQL
SCHEMBL7703223 0.77 ALDH1A1 (0.49) LTA4HTSHRSMN1; SMN2TDP1L3MBTL1
SCHEMBL30339892 0.76 LTA4H (0.45) LTA4HTSHRFAAH
SCHEMBL11650799 0.76 CYP2D6 (0.40) LTA4HSMN1; SMN2CYP1A2CYP2D6CYP19A1
SCHEMBL30340541 0.76 LTA4H (0.45) LTA4HTSHRFAAH
SCHEMBL27448179 0.75 TAAR1 (0.40) LTA4HTSHRSMN1; SMN2
SCHEMBL22319104 0.74 LTA4H (0.83) LTA4HSMN1; SMN2RECQLCYP1A2CYP2D6

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
CN-103259044-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2016-02-10 CN disclosed
CN-102097654-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2014-10-01 CN disclosed
CN-103259044-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2013-08-21 CN disclosed
CN-101432923-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2012-04-18 CN disclosed
CN-102097654-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2011-06-15 CN disclosed
CN-101432923-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP (JP) 2009-05-13 CN disclosed