SCHEMBL28019290

SCHEMBL28019290

COCc1c(Br)cccc1-c1c(C(=O)O)ccc(C)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.38
ALDH1A1 P00352 5/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
PTGER1 P34995 1/20 0.33
APEX1 P27695 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
PRNP P04156 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CD274 Q9NZQ7 1/20 0.31
KDM4E B2RXH2 2/20 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
SCHEMBL28097596 0.86 MYC (0.40) MYCALDH1A1POLBPRNPL3MBTL1
SCHEMBL28019280 0.83 MYC (0.39) MYCALDH1A1S1PR1S1PR3PTGER1
SCHEMBL28098583 0.81 MYC (0.40) MYCALDH1A1POLBPRNPL3MBTL1
SCHEMBL28069046 0.80 MYC (0.44) MYCALDH1A1POLBPRNPL3MBTL1
SCHEMBL28097579 0.78 MYC (0.45) MYCALDH1A1POLBL3MBTL1LMNA
SCHEMBL28202955 0.78 CA12 (0.44) MYCALDH1A1PTGER1APEX1POLB
SCHEMBL27594631 0.75 APEX1 (0.38) ALDH1A1APEX1POLBL3MBTL1MAPT
SCHEMBL28097556 0.75 MYC (0.39) MYCALDH1A1POLBMAPK1LMNA
SCHEMBL28203200 0.75 MYC (0.39) MYCALDH1A1POLBMAPK1L3MBTL1
SCHEMBL28014917 0.73 MYC (0.47) MYCALDH1A1L3MBTL1LMNAMAPT

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-104822666-A Tetrazolinone compound and use thereof SUMITOMO CHEMICAL CO 2015-08-05 CN disclosed