SCHEMBL8907392

SCHEMBL8907392

CCOC(=O)C(C)c1ccc(C)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 3/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
NLRP3 Q96P20 1/20 0.39
ALOX15 P16050 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP3A4 P08684 2/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2130826 0.87 LMNA (0.45) SMN1; SMN2ALDH1A1HSD17B10CYP1A2NPC1
SCHEMBL16672742 0.85 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL10744323 0.81 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL22897592 0.75 TDP1 (0.42) SMN1; SMN2ALDH1A1HSD17B10TDP1NPC1
SCHEMBL30639005 0.75 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL1954072 0.75 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL28137289 0.74 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1HSD17B10CYP1A2NPC1
SCHEMBL14797820 0.74 PSEN1 (0.41) SMN1; SMN2ALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL16672995 0.74 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL1744701 0.73 CA12 (0.47) SMN1; SMN2TDP1KDM4EMAPTGAA

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
US-5691278-A HERBICIDES KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1997-11-25 US disclosed