SCHEMBL28845306

SCHEMBL28845306

CC(=O)CC(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
MDM4 O15151 1/20 0.51
MDM2 Q00987 1/20 0.51
MEN1 O00255 3/20 0.50
GAA P10253 1/20 0.49
SLC6A9 P48067 2/20 0.48
SLC6A5 Q9Y345 2/20 0.48
HPGDS O60760 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL28967232 0.85 TSHR (0.60) TSHRKMT2AALDH1A1HPGDL3MBTL1
SCHEMBL9754281 0.84 TSHR (0.62) TSHRKMT2AALDH1A1HPGDL3MBTL1
SCHEMBL1978152 0.83 MAPT (0.63) KMT2AALDH1A1HPGDL3MBTL1MAPT
SCHEMBL9726746 0.83 MAPT (0.63) KMT2AALDH1A1HPGDL3MBTL1MAPT
SCHEMBL3198381 0.83 MAPT (0.63) KMT2AALDH1A1HPGDL3MBTL1MAPT
SCHEMBL14263838 0.82 TSHR (0.66) TSHRKMT2AALDH1A1HPGDL3MBTL1
SCHEMBL4184595 0.82 TSHR (0.61) TSHRKMT2AALDH1A1HPGDL3MBTL1
SCHEMBL17690718 0.82 NPSR1 (0.57) TSHRKMT2AALDH1A1HPGDL3MBTL1
SCHEMBL9844158 0.81 TSHR (0.59) TSHRKMT2AALDH1A1HPGDL3MBTL1
SCHEMBL5834057 0.80 TSHR (0.62) TSHRKMT2AALDH1A1HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106802684-B Purple sweet potato pears compound fruit vinegar fermentation monitoring system and its method of work based on MAS 徐州工程学院 2018-05-22 CN claimed
CN-106802684-A Purple potato pears compound fruit vinegar fermentation monitoring system and its method of work based on MAS 徐州工程学院 2017-06-06 CN claimed
CN-106802684-B Purple sweet potato pears compound fruit vinegar fermentation monitoring system and its method of work based on MAS 徐州工程学院 2018-05-22 CN disclosed
CN-106802684-A Purple potato pears compound fruit vinegar fermentation monitoring system and its method of work based on MAS 徐州工程学院 2017-06-06 CN disclosed