SCHEMBL28008263

SCHEMBL28008263

CCOC(=O)C(C)(C)Cc1ccccc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.44
PIN1 Q13526 1/20 0.43
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
NLRP3 Q96P20 1/20 0.40
TSHR P16473 2/20 0.40
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 1/20 0.38
PPARA Q07869 1/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD11B1 P28845 1/20 0.36
LMNA P02545 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL16044519 0.88 KDM4E (0.49) MMP8ALDH1A1KDM4EPOLBNPSR1
SCHEMBL28008239 0.85 MMP8 (0.48) MMP8PIN1ALDH1A1RECQLNLRP3
SCHEMBL12802659 0.81 RIPK1 (0.49) MMP8PIN1ALDH1A1RECQLTSHR
SCHEMBL17411368 0.81 MMP8 (0.44) MMP8PIN1ALDH1A1RECQLTSHR
SCHEMBL14874337 0.80 MEN1 (0.48) MMP8ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL29798733 0.80 MEN1 (0.48) MMP8ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL16672862 0.80 L3MBTL1 (0.49) MMP8PIN1ALDH1A1RECQLTSHR
SCHEMBL29798734 0.80 MEN1 (0.48) MMP8ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL28008232 0.79 CYP4F2 (0.47) MMP8PIN1ALDH1A1RECQLTSHR
SCHEMBL18322486 0.78 ALDH1A1 (0.47) MMP8PIN1ALDH1A1RECQLNLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104412441-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-03-11 CN disclosed