SCHEMBL8339482

SCHEMBL8339482

CCc1ccccc1COCCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 2/20 0.40
VDR P11473 2/20 0.38
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 5/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
PSMD10 O75832 1/20 0.36
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
F2 P00734 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3073235 0.89 MEN1 (0.46) CYP24A1VDRMEN1KMT2AALDH1A1
SCHEMBL6098372 0.87 ALDH1A1 (0.48) CYP24A1VDRMEN1KMT2AALDH1A1
SCHEMBL2340512 0.87 ALDH1A1 (0.49) CYP24A1VDRKDM4EL3MBTL1MEN1
SCHEMBL2337256 0.86 REN (0.44) KDM4EL3MBTL1MEN1KMT2APKM
SCHEMBL2246161 0.83 ALDH1A1 (0.49) CYP24A1L3MBTL1ALDH1A1CA12CA1
SCHEMBL21618180 0.82 ALDH1A1 (0.50) CYP24A1VDRALDH1A1CA12CA1
SCHEMBL12737574 0.82 ALDH1A1 (0.50) CYP24A1VDRALDH1A1CA12CA1
SCHEMBL25311278 0.82 ALDH1A1 (0.48) CYP24A1L3MBTL1ALDH1A1CA12CA1
SCHEMBL27031942 0.81 ALDH1A1 (0.47) CYP24A1L3MBTL1ALDH1A1CA12CA1
SCHEMBL23250068 0.81 ALDH1A1 (0.47) CYP24A1L3MBTL1ALDH1A1CA12CA1

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-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed