SCHEMBL28077941

SCHEMBL28077941

Cc1cc(C)c(OC(=O)CN)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MIF P14174 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.38
KDM4E B2RXH2 5/20 0.37
NLRP3 Q96P20 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 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
Hydrochloric Acid SCHEMBL7313530 0.98 LMNA (0.49) LMNAMIFL3MBTL1SMN1; SMN2ATM
SCHEMBL15131812 0.83 MIF (0.43) LMNAMIFL3MBTL1SMN1; SMN2ATM
SCHEMBL8396488 0.82 ACHE (0.45) LMNAMIFL3MBTL1SMN1; SMN2ATM
SCHEMBL24849367 0.80 MIF (0.41) LMNAMIFL3MBTL1SMN1; SMN2ATM
SCHEMBL10814385 0.80 MIF (0.41) LMNAMIFL3MBTL1SMN1; SMN2ATM
Hydrochloric Acid SCHEMBL7314768 0.78 SMN1; SMN2 (0.59) LMNAL3MBTL1SMN1; SMN2ATMKDM4E
SCHEMBL16837505 0.78 MIF (0.40) MIFL3MBTL1SMN1; SMN2ATMKDM4E
SCHEMBL7394143 0.78 ALDH1A1 (0.43) LMNAMIFL3MBTL1SMN1; SMN2ATM
SCHEMBL16837504 0.77 L3MBTL1 (0.44) LMNAMIFL3MBTL1SMN1; SMN2ATM
SCHEMBL1951034 0.77 KDM4E (0.41) LMNAMIFKDM4EALDH1A1MEN1

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
CN-105851714-A Antibacterial, disease-resisting and anti-hypoxia growth-promoting feed of mandarin fish 安庆市皖宜季牛水产养殖有限责任公司 2016-08-17 CN claimed
CN-105851714-A Antibacterial, disease-resisting and anti-hypoxia growth-promoting feed of mandarin fish 安庆市皖宜季牛水产养殖有限责任公司 2016-08-17 CN disclosed