SCHEMBL28705278

SCHEMBL28705278

CCCCCN(CCCCC)C(=S)N(CCCCC)CCCCC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.62
CA1 P00915 7/20 0.62
CA9 Q16790 7/20 0.62
CA2 P00918 5/20 0.62
MGLL Q99685 1/20 0.56
ALDH1A1 P00352 1/20 0.52
ALDH2 P05091 1/20 0.52
DNM1 Q05193 3/20 0.43
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
TSHR P16473 1/20 0.37
THRB P10828 1/20 0.37
GBA1 P04062 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36

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
SCHEMBL7262845 0.97 CA12 (0.67) CA12CA1CA9CA2MGLL
SCHEMBL11243050 0.97 CA12 (0.67) CA12CA1CA9CA2MGLL
SCHEMBL1276727 0.92 ALDH1A1 (0.61) CA12CA1CA9CA2MGLL
SCHEMBL9665589 0.84 CA12 (0.57) CA12CA1CA9CA2MGLL
SCHEMBL8365223 0.81 CA12 (0.91) CA12CA1CA9CA2MGLL
SCHEMBL8164965 0.81 CA12 (0.60) CA12CA1CA9CA2MGLL
SCHEMBL1426694 0.79 CA12 (0.63) CA12CA1CA9CA2MGLL
SCHEMBL701003 0.79 CA12 (0.95) CA12CA1CA9CA2MGLL
SCHEMBL7522177 0.79 CA12 (0.86) CA12CA1CA9CA2MGLL
SCHEMBL2381732 0.79 CA12 (0.86) CA12CA1CA9CA2MGLL

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
EP-3960495-B1 SEALANT RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2022-11-09 EP disclosed
EP-3960495-A2 SEALANT RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES LIMITED (JP) 2022-03-02 EP disclosed
CN-114106475-A Rubber composition for sealing material, and pneumatic tire 住友橡胶工业株式会社 2022-03-01 CN disclosed