SCHEMBL22018772

SCHEMBL22018772

CCn1c(SC2(C(=O)Nc3ccccc3)CCC2)nnc1C1CC=CO1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.36
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
RORC P51449 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
USP2 O75604 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
SCHEMBL22018983 0.84 ALDH1A1 (0.39) ALDH1A1TSHRALOX15MAPK1MEN1
SCHEMBL22018528 0.78 ALDH1A1 (0.37) ALDH1A1TSHRALOX15MAPK1POLB
SCHEMBL13831893 0.78 GAA (0.51) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL13831344 0.77 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL13831226 0.76 GAA (0.51) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL13831389 0.76 ALDH1A1 (0.55) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL22018591 0.76 ALDH1A1 (0.36) ALDH1A1TSHRALOX15MAPK1POLB
SCHEMBL13831398 0.75 POLB (0.55) ALDH1A1TSHRALOX15MAPK1MEN1
SCHEMBL13832021 0.75 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL13832283 0.75 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1POLBSMN1; SMN2

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
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed