SCHEMBL9722650

SCHEMBL9722650

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 4/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 3/20 0.37
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TBXA2R P21731 2/20 0.35
PTGER1 P34995 1/20 0.35
PTGER2 P43116 1/20 0.35
PTGER4 P35408 1/20 0.35
HPGD P15428 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL9722645 0.91 RAB9A (0.44) MEN1KMT2ARAB9AALDH1A1HTT
SCHEMBL9722685 0.88 RAB9A (0.44) MEN1KMT2ARAB9AALDH1A1HTT
SCHEMBL9722666 0.83 MEN1 (0.49) MEN1KMT2ARAB9AALDH1A1HTT
SCHEMBL9722662 0.83 MEN1 (0.49) MEN1KMT2ARAB9AALDH1A1HTT
SCHEMBL9349889 0.79 MEN1 (0.49) MEN1KMT2ARAB9AALDH1A1HTT
SCHEMBL9722637 0.78 RAB9A (0.50) MEN1KMT2ARAB9AALDH1A1HTT
SCHEMBL9722644 0.78 RAB9A (0.50) MEN1KMT2ARAB9AALDH1A1HTT
SCHEMBL10951082 0.77 MEN1 (0.47) MEN1KMT2ARAB9AALDH1A1HTT
SCHEMBL9727109 0.77 RAB9A (0.49) MEN1KMT2ARAB9AALDH1A1HTT
SCHEMBL9727106 0.77 RAB9A (0.49) MEN1KMT2ARAB9AALDH1A1HTT

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