SCHEMBL9541433

SCHEMBL9541433

C=CCC1CCCC(=O)C1C=C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
PRSS1 P07477 2/20 0.34
CTRC Q99895 2/20 0.34
F2 P00734 1/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
CYP19A1 P11511 1/20 0.32
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL20969209 0.82 ALDH1A1 (0.46) MEN1ALDH1A1KMT2APRSS1CTRC
SCHEMBL20969924 0.82 ALDH1A1 (0.46) MEN1ALDH1A1KMT2APRSS1CTRC
SCHEMBL9501225 0.79 KMT2A (0.44) MEN1ALDH1A1KMT2APRSS1CTRC
SCHEMBL15423555 0.74
SCHEMBL2051321 0.74
SCHEMBL29886436 0.74
SCHEMBL3942028 0.74
SCHEMBL3594380 0.73 AKR1C4 (0.41) MEN1ALDH1A1KMT2APRSS1CTRC
SCHEMBL10406320 0.69 MEN1 (0.42) MEN1ALDH1A1KMT2APRSS1CTRC
SCHEMBL10406322 0.69 MEN1 (0.42) MEN1ALDH1A1KMT2APRSS1CTRC

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
WO-1993007119-A1 NOVEL ANTIMALARIAL PEROXIDES AND PROCESSES FOR THEIR PRODUCTION AND USE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-04-15 WO disclosed