SCHEMBL9872300

SCHEMBL9872300

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
HPGD P15428 4/20 0.45
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL9873308 0.75 MAPT (0.43) MAPTHPGDRAB9ANPC1LMNA
SCHEMBL9874527 0.72 HPD (0.42) HPGDRAB9ANPC1SMN1; SMN2POLB
SCHEMBL8698285 0.72 HPGD (0.42) MAPTHPGDRAB9ANPC1LMNA
SCHEMBL10384185 0.72 MAPT (0.43) MAPTHPGDRAB9ANPC1LMNA
SCHEMBL1315721 0.71 TDP1 (0.59) MAPTHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL8694806 0.70 HPGD (0.42) MAPTHPGDRAB9ANPC1LMNA
SCHEMBL10384024 0.69 MAPT (0.42) MAPTHPGDRAB9ANPC1LMNA
SCHEMBL9711469 0.69 RAB9A (0.43) MAPTHPGDRAB9ANPC1LMNA
SCHEMBL1316259 0.68 LMNA (0.51) MAPTHPGDRAB9ANPC1LMNA
SCHEMBL29094250 0.68 CRHBP (0.49) 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