SCHEMBL22181817

SCHEMBL22181817

CCCCCCCC(C)(CCCC)OCC(O)CS

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
MMP3 P08254 3/20 0.35
MMP1 P03956 2/20 0.35
MMP9 P14780 2/20 0.35
SMPD1 P17405 3/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
GGPS1 O95749 3/20 0.31
LPAR5 Q9H1C0 1/20 0.30
MAPT P10636 1/20 0.30
FDPS P14324 5/20 0.30

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
SCHEMBL18506049 0.74 SMPD1 (0.36) SMPD1GGPS1MAPTFDPS
SCHEMBL7606375 0.72 USP2 (0.44) USP2KDM4EDUSP3MEN1KMT2A
Dodecane SCHEMBL7797330 0.71 TSHR (0.47) USP2MEN1KMT2ALMNA
SCHEMBL6064783 0.69 TSHR (0.40) SMPD1MEN1KMT2AGGPS1MAPT
SCHEMBL1563330 0.69 TSHR (0.40) SMPD1MEN1KMT2AGGPS1MAPT
SCHEMBL11679074 0.69 USP2 (0.69) USP2HTTMEN1KMT2ALPAR5
SCHEMBL10420978 0.69 USP2 (0.53) USP2HTTKDM4EDUSP3MEN1
SCHEMBL7096757 0.69 USP2 (0.53) USP2HTTKDM4EDUSP3MEN1
SCHEMBL10642876 0.68 MMP3 (0.35) MMP3MMP1MMP9SMPD1GGPS1
SCHEMBL7867560 0.68 USP2 (0.51) USP2SMPD1HTTKDM4EDUSP3

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
US-20200207921-A1 DIBLOCK COPOLYMER, A MANUFACTURING METHOD AND SUITED APPLICATIONS FREIE UNIVERSITÄT BERLIN (DE) 2020-07-02 US disclosed