SCHEMBL21802633

SCHEMBL21802633

CCCCCCSC(O)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
MAPT P10636 2/20 0.40
CES2 O00748 1/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
BLM P54132 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACHE P22303 2/20 0.38
NOD1 Q9Y239 1/20 0.38
KDM4E B2RXH2 1/20 0.38
DUSP3 P51452 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
GPR84 Q9NQS5 3/20 0.37
NAAA Q02083 1/20 0.37
DGKA P23743 1/20 0.37

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
SCHEMBL11599801 0.82 EPHX1 (0.46) EPHX1MAPTCES2GMNNTP53
SCHEMBL11601479 0.82 EPHX1 (0.46) EPHX1MAPTCES2GMNNTP53
SCHEMBL11598276 0.82 EPHX1 (0.46) EPHX1MAPTCES2GMNNTP53
SCHEMBL11599391 0.82 EPHX1 (0.46) EPHX1MAPTCES2GMNNTP53
SCHEMBL11598327 0.82 EPHX1 (0.46) EPHX1MAPTCES2GMNNTP53
SCHEMBL11599153 0.82 EPHX1 (0.46) EPHX1MAPTCES2GMNNTP53
SCHEMBL11601234 0.82 EPHX1 (0.46) EPHX1MAPTCES2GMNNTP53
SCHEMBL30686941 0.81 EPHX1 (0.62) EPHX1MAPTCES2GMNNTP53
SCHEMBL11814748 0.79 EPHX1 (0.59) EPHX1MAPTCES2GMNNTP53
SCHEMBL1405573 0.79 EPHX1 (0.53) EPHX1MAPTCES2GMNNTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112313259-B Functionalized multi-walled core-shell particles 鲁道夫有限公司 2022-09-30 CN disclosed
CN-112313259-A Functionalized multi-walled core-shell particles 鲁道夫有限公司 2021-02-02 CN disclosed
EP-1421243-B1 USE OF MICROCAPSULES IN GYPSUM PLASTERBOARDS MICROTEK LABORATORIES INC (US) 2020-03-25 EP disclosed