SCHEMBL9873308

SCHEMBL9873308

CC1(C)OC(C)(C)C(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])=CC1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
HPGD P15428 4/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
JMJD7 P0C870 1/20 0.37

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
SCHEMBL9872300 0.75 MAPT (0.45) MAPTHPGDRAB9ANPC1LMNA
SCHEMBL9871935 0.73 SMN1; SMN2 (0.48) HPGDRAB9ANPC1LMNASMN1; SMN2
SCHEMBL8698285 0.73 HPGD (0.42) MAPTHPGDRAB9ANPC1LMNA
SCHEMBL8694806 0.73 HPGD (0.42) MAPTHPGDRAB9ANPC1LMNA
SCHEMBL1315721 0.72 TDP1 (0.59) MAPTHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL9872626 0.71 SMN1; SMN2 (0.39) MAPTHPGDRAB9ANPC1LMNA
SCHEMBL9874689 0.70 SMN1; SMN2 (0.41) MAPTHPGDRAB9ANPC1LMNA
SCHEMBL9873837 0.70 MAPT (0.41) MAPTHPGDRAB9ANPC1LMNA
SCHEMBL9874629 0.70 HPGD (0.42) MAPTHPGDRAB9ANPC1LMNA
SCHEMBL1316259 0.69 LMNA (0.51) MAPTHPGDRAB9ANPC1LMNA

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-5006150-A Herbicides SANDOZ LTD. (CH) 1991-04-09 US disclosed