SCHEMBL17375003

SCHEMBL17375003

CCOC(=O)Oc1ccc(C(C)(C)C)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
PPARA Q07869 1/20 0.42
NR1H4 Q96RI1 5/20 0.41
CA2 P00918 1/20 0.41
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL4640552 0.80 CYP3A4 (0.47) KMT2AMEN1POLBCYP3A4NR1H4
SCHEMBL17375002 0.77 ALDH1A1 (0.42) KMT2AMEN1L3MBTL1ABCB11CYP1A2
SCHEMBL13762179 0.76 NQO1 (0.46) KMT2AMEN1L3MBTL1CYP1A2CYP3A4
SCHEMBL6451238 0.75 ALDH1A1 (0.55) KMT2AMEN1L3MBTL1POLBTSHR
SCHEMBL6891211 0.74 MAPT (0.51) KMT2AMEN1L3MBTL1NR1H4NPSR1
SCHEMBL1808069 0.74 ABCB11 (0.56) KMT2AMEN1ABCB11CYP1A2CYP3A4
SCHEMBL11234025 0.73 MAPT (0.38) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL3930793 0.73 MCL1 (0.60) KMT2AMEN1L3MBTL1TSHRKDM4E
SCHEMBL8421941 0.73 KMT2A (0.56) KMT2AMEN1L3MBTL1POLBCA2
SCHEMBL15496627 0.72 HPGD (0.54) KMT2AL3MBTL1POLBCYP1A2CYP3A4

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
WO-2015197028-A1 COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-12-30 WO disclosed