SCHEMBL16409795

SCHEMBL16409795

CCCCOCC1CCC(COS(C)(=O)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
USP2 O75604 2/20 0.39
ALOX15 P16050 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MMP9 P14780 1/20 0.39
CA1 P00915 7/20 0.38
CA2 P00918 7/20 0.38
TDP1 Q9NUW8 1/20 0.37
RECQL P46063 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
EPHX2 P34913 1/20 0.35
BLM P54132 1/20 0.35
CA9 Q16790 6/20 0.33
PTPN1 P18031 1/20 0.33
ACP1 P24666 1/20 0.33

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
SCHEMBL16300471 0.91 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TSHRUSP2ALOX15
SCHEMBL14414058 0.82 USP2 (0.42) ALDH1A1TSHRUSP2ALOX15KDM4E
SCHEMBL125382 0.82
SCHEMBL1062380 0.82
SCHEMBL14658202 0.82 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TSHRUSP2ALOX15
SCHEMBL7705221 0.82 USP2 (0.42) ALDH1A1TSHRUSP2ALOX15KDM4E
SCHEMBL7773531 0.82 CYP1A2 (0.39) ALDH1A1TSHRUSP2ALOX15KDM4E
SCHEMBL11244635 0.81 USP2 (0.44) ALDH1A1TSHRUSP2ALOX15KDM4E
SCHEMBL5003314 0.80 GAA (0.39) ALDH1A1TSHRLMNAHPGDEPHX2
SCHEMBL5003310 0.80 GAA (0.39) ALDH1A1TSHRLMNAHPGDEPHX2

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-2014196328-A1 HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF 日本理化学工業株式会社 (JP) 2014-12-11 WO disclosed