SCHEMBL27564669

SCHEMBL27564669

Cc1ncsc1OC(=O)CC(C)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ ELANE P08246 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ VHL P40337 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL26125291 0.80 KDM4E (0.43) KDM4EPKMELANEVHLALOX15
SCHEMBL28274610 0.75 PKM (0.39) KDM4EPKMVHLALDH1A1MEN1
SCHEMBL27650439 0.74 KDM4E (0.47) KDM4EPKMPIK3CDVHLALDH1A1
SCHEMBL8638901 0.69 PKM (0.39) KDM4EPKMVHLALDH1A1MEN1
SCHEMBL1756479 0.65 RAB9A (0.44) ELANEALOX15ALDH1A1MEN1LMNA
SCHEMBL1756467 0.65 RAB9A (0.44) ELANEALOX15ALDH1A1MEN1LMNA
SCHEMBL28244029 0.64 ALDH1A1 (0.50) KDM4EPKMALDH1A1MEN1LMNA
SCHEMBL4236238 0.64 KDM4E (0.43) KDM4EPKMALDH1A1MEN1LMNA
SCHEMBL8550363 0.64 KDM4E (0.40) KDM4EPKMVHLALDH1A1MEN1
SCHEMBL1870721 0.62 LMNA (0.50) ELANEALDH1A1MEN1LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106586139-A Electronic detector used on red jujube milk beverage packaging machine and working method of electronic detector 徐州工程学院 2017-04-26 — — CN claimed
CN-100415123-C Ambient stable beverage UNILEVER NV (NL) 2008-09-03 — — CN claimed
CN-1313011-C Ambient stable beverage UNILEVER NV (NL) 2007-05-02 — — CN claimed
CN-1606408-A Ambient stable beverage UNILEVER NV (NL) 2005-04-13 — — CN claimed
CN-1443043-A Ambient stable beverage UNILEVER NV (NL) 2003-09-17 — — CN claimed
CN-106586139-A Electronic detector used on red jujube milk beverage packaging machine and working method of electronic detector 徐州工程学院 2017-04-26 — — CN disclosed
CN-100415123-C Ambient stable beverage UNILEVER NV (NL) 2008-09-03 — — CN disclosed
CN-1443043-A Ambient stable beverage UNILEVER NV (NL) 2003-09-17 — — CN disclosed
Send feedback