SCHEMBL9722666

SCHEMBL9722666

CCCC(=NOCC)C1=C(O)CC(c2ccc3c(c2)CCC3)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 4/20 0.47
HTT P42858 3/20 0.47
RAB9A P51151 1/20 0.46
MAPT P10636 6/20 0.41
LMNA P02545 5/20 0.41
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
HPGD P15428 2/20 0.36
PKM P14618 1/20 0.34
MAP1LC3B Q9GZQ8 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
SCHEMBL9722662 1.00 MEN1 (0.49) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL9722644 0.92 RAB9A (0.50) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL9722637 0.92 RAB9A (0.50) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL9727103 0.91 RAB9A (0.49) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL9727109 0.91 RAB9A (0.49) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL9727106 0.91 RAB9A (0.49) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL9722635 0.90 RAB9A (0.50) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL9722638 0.90 RAB9A (0.50) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL9722650 0.83 MEN1 (0.43) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL9786595 0.82 MEN1 (0.56) MEN1KMT2AALDH1A1HTTRAB9A

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-5110989-A Pre- and postemergence; plant growth regulators ICI AUSTRALIA LIMITED (AU) 1992-05-05 US disclosed
US-4952722-A CYCLOHEX-2-EN-1-ONE DERIVATIVES; HERBICIDES ICI AUSTRALIA LIMITED (AU) 1990-08-28 US disclosed
EP-0086588-B1 CYCLOHEXANEDIONE DERIVATIVES, THEIR USE AS HERBICIDES, HERBICIDAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PREPARING THEM ICI AUSTRALIA LIMITED (AU) 1987-07-01 EP disclosed
EP-0086588-A2 Cyclohexanedione derivatives, their use as herbicides, herbicidal compositions containing them, and methods of preparing them ICI AUSTRALIA LIMITED (AU) 1983-08-24 EP disclosed