SCHEMBL27705877

SCHEMBL27705877

Cc1cc(C)cc(C2COC2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.41
ALOX12 P18054 2/20 0.39
ALOX15 P16050 1/20 0.39
KCNH2 Q12809 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MAPT P10636 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 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
SCHEMBL576513 0.79 CYP19A1 (0.56) CYP19A1MAPTLMNAMEN1RECQL
SCHEMBL27705890 0.76 NR1I2 (0.35) CYP19A1ALOX12MAPTNPSR1LMNA
SCHEMBL2700586 0.73 CYP19A1 (0.58) CYP19A1MEN1KMT2A
SCHEMBL27705876 0.71 MEN1 (0.36) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL577209 0.70 CYP19A1 (0.56) CYP19A1
SCHEMBL27705888 0.69 CA1 (0.35) MAPTNPSR1CA1CA9MEN1
SCHEMBL29669552 0.67 LMNA (0.33) CYP19A1ALOX12ALOX15LMNA
SCHEMBL25857321 0.66 TSHR (0.44) CA1CA9
SCHEMBL16413144 0.66 TSHR (0.44) CA1CA9
SCHEMBL5562560 0.64 CA1 (0.42) ALOX12NPSR1CA1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102569893-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same MITSUBISHI CHEM CORP 2012-07-11 CN disclosed
CN-102544585-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same MITSUBISHI CHEM CORP JP 2012-07-04 CN disclosed
CN-101652894-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same MITSUBISHI CHEM CORP JP 2010-02-17 CN disclosed
CN-100563056-C Lithium secondary battery MITSUBISHI CHEM CORP (JP) 2009-11-25 CN disclosed
CN-101203982-A Lithium secondary battery MITSUBISHI CHEM CORP (JP) 2008-06-18 CN disclosed