SCHEMBL4735003

SCHEMBL4735003

Cc1ccc(C(C)C)cc1NC(=O)CCl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 1/20 0.50
MYOC Q99972 1/20 0.50
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
BRD4 O60885 1/20 0.47
TSPO P30536 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL12569539 0.86 MEN1 (0.53) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL15644535 0.84 KMT2A (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL29559776 0.84 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL22897575 0.84 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL21568091 0.82 MEN1 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4001716 0.80 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL13170071 0.80 MEN1 (0.57) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5391295 0.80 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL15998602 0.80 KMT2A (0.48) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL20825702 0.79 MEN1 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008070891-A1 LIGANDS FOR THE MODULATION OF ECDYSONE RECEPTORS AND CONTROL OF INSECT GROWTH COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2008-06-19 WO disclosed
WO-2008070934-A1 INHIBITION OF INVERTEBRATES USING LIGANDS THAT MODULATE ECDYSONE RECEPTORS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2008-06-19 WO disclosed