SCHEMBL5655078

SCHEMBL5655078

CCCCNC(=S)N(CCCC)N(CC)C(=S)NCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
ALOX12 P18054 1/20 0.33
CRHBP P24387 1/20 0.33
HTT P42858 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHX1 P07099 2/20 0.32
ALDH2 P05091 1/20 0.32
CYP3A4 P08684 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
SCHEMBL15511328 0.89 L3MBTL1 (0.41) L3MBTL1CA12CA1CA2CA9
SCHEMBL9666822 0.82 EPHX1 (0.47) L3MBTL1CA12CA1CA2CA9
SCHEMBL11369779 0.80 L3MBTL1 (0.39) L3MBTL1CA12CA1CA2CA9
SCHEMBL15511481 0.79 ALDH1A1 (0.48) CA12CA1CA2CA9KMT2A
SCHEMBL134357 0.75 ALDH1A1 (0.50) L3MBTL1CA12CA1CA2CA9
SCHEMBL22400003 0.71 L3MBTL1 (0.42) L3MBTL1CA12CA1CA2CA9
SCHEMBL7508667 0.71 CA12 (0.46) L3MBTL1CA12CA1CA2CA9
SCHEMBL6561071 0.69 L3MBTL1 (0.47) L3MBTL1KMT2AHPGDGAAMAPT
SCHEMBL17956772 0.68 CA12 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL7514061 0.68 CA12 (0.55) L3MBTL1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301042-B2 Blocked mercaptosilane hydrolyzates as coupling agents for mineral-filled elastomer compositions MOMENTIVE PERFORMANCE MATERIALS INC. 2007-11-27 US disclosed
US-20030199619-A1 Blocked mercaptosilane hydrolyzates as coupling agents for mineral-filled elastomer compositions CROMPTON CORPORATION 2003-10-23 US disclosed