SCHEMBL28055029

SCHEMBL28055029

CCOC(=O)CCCCC(C)CC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PTGS2 P35354 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
DGKA P23743 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 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
SCHEMBL28055031 0.95 CYP1A2 (0.47) CYP1A2TSHRTDP1KMT2ACYP3A4
SCHEMBL2245530 0.82 CYP1A2 (0.52) CYP1A2TSHRTDP1KMT2ACYP3A4
SCHEMBL27932302 0.82 CYP1A2 (0.52) CYP1A2TSHRTDP1KMT2ACYP3A4
SCHEMBL28055079 0.81 LMNA (0.53) TSHRTDP1CYP3A4ALDH1A1ALOX15
SCHEMBL24346289 0.81 CYP1A2 (0.50) CYP1A2TSHRTDP1KMT2ACYP3A4
SCHEMBL494613 0.81 KMT2A (0.53) CYP1A2TSHRTDP1KMT2ACYP3A4
SCHEMBL29443811 0.81 CYP1A2 (0.50) CYP1A2TSHRTDP1KMT2ACYP3A4
SCHEMBL494680 0.81 KMT2A (0.53) CYP1A2TSHRTDP1KMT2ACYP3A4
SCHEMBL495265 0.81 KMT2A (0.53) CYP1A2TSHRTDP1KMT2ACYP3A4
SCHEMBL14778665 0.81 KMT2A (0.53) CYP1A2TSHRTDP1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105406119-B A kind of lithium-ion battery electrolytes and the lithium ion battery containing the electrolyte 比亚迪股份有限公司 2018-05-29 CN claimed
CN-105406119-A Lithium ion battery electrolyte and lithium ion battery containing electrolyte BYD CO LTD 2016-03-16 CN claimed
CN-105406119-B A kind of lithium-ion battery electrolytes and the lithium ion battery containing the electrolyte 比亚迪股份有限公司 2018-05-29 CN disclosed
CN-105406119-A Lithium ion battery electrolyte and lithium ion battery containing electrolyte BYD CO LTD 2016-03-16 CN disclosed