SCHEMBL28224871

SCHEMBL28224871

COc1ccc(S(C)(C)C2(C)C=CC=CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PKLR P30613 1/20 0.36
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
GAA P10253 2/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
HTT P42858 1/20 0.33
MMP3 P08254 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
SCHEMBL27968655 0.81 ENPP2 (0.37) LMNA
SCHEMBL28479057 0.66 MAOB (0.39) NPC1RAB9ACA1CA2CA12
Anisole SCHEMBL27862557 0.65 CA4 (0.47) CA1CA2CA12CA7CA9
SCHEMBL19864931 0.64 CA1 (0.65) PKMNPC1RAB9APKLRPTGS1
SCHEMBL28464113 0.64 MAOB (0.37) CA1CA2CA12CA7CA9
SCHEMBL23208319 0.62 CA1 (0.61) PKMNPC1RAB9APKLRPTGS1
SCHEMBL18402798 0.62 CA1 (0.61) PKMNPC1RAB9APKLRPTGS1
SCHEMBL29024785 0.62 MAOB (0.39) CA1CA2CA12CA7CA9
SCHEMBL28366987 0.62 ALDH1A1 (0.41) CA1CA2CA12CA7CA9
SCHEMBL2512871 0.62 ALDH1A1 (0.38) NPC1RAB9ACA1CA2CA12

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
CN-103773265-B Anisotropic conductive adhesive composition 日立化成株式会社 2018-07-10 CN disclosed