SCHEMBL8698285

SCHEMBL8698285

CC12CCC(C(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])=CC1=O)C2(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
LGALS3 P17931 1/20 0.36
LGALS4 P56470 1/20 0.36

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
SCHEMBL8694806 0.84 HPGD (0.42) HPGDMAPTRAB9ANPC1MEN1
SCHEMBL10384024 0.79 MAPT (0.42) HPGDMAPTRAB9ANPC1MEN1
SCHEMBL8698289 0.75 HPGD (0.40) HPGDMEN1PKMKMT2AALDH1A1
SCHEMBL10384185 0.74 MAPT (0.43) HPGDMAPTRAB9ANPC1MEN1
SCHEMBL8698410 0.73 HPGD (0.43) HPGDMAPTRAB9ANPC1MEN1
SCHEMBL9873308 0.73 MAPT (0.43) HPGDMAPTRAB9ANPC1LMNA
SCHEMBL9872300 0.72 MAPT (0.45) HPGDMAPTRAB9ANPC1ALDH1A1
SCHEMBL9873837 0.71 MAPT (0.41) HPGDMAPTRAB9ANPC1MEN1
SCHEMBL10384016 0.71 HPGD (0.44) HPGDMAPTRAB9ANPC1MEN1
SCHEMBL10384187 0.71 MAPT (0.44) HPGDMAPTRAB9ANPC1MEN1

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
US-5801120-A HERBICIDES FOR CONTROLLING WEEDS SANDOZ LTD. (CH) 1998-09-01 US disclosed
US-5700762-A HERBICIDES SANDOZ LTD. (CH) 1997-12-23 US disclosed
US-5608101-A HERBICIDES NOVARTIS AG (CH) 1997-03-04 US disclosed
EP-0338992-A2 Substituted aryl and heteroaryl bicyclodiones SANDOZ AG (CH) 1989-10-25 EP disclosed