SCHEMBL22018774

SCHEMBL22018774

CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1C1CC=CO1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TP53 P04637 1/20 0.47
KMT2A Q03164 1/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL22019386 0.87 ALDH1A1 (0.63) ALDH1A1TP53KMT2APOLBLMNA
SCHEMBL22018563 0.82 ALDH1A1 (0.50) ALDH1A1KMT2APOLBLMNATSHR
SCHEMBL22018552 0.79 RORC (0.69) ALDH1A1TP53LMNAMAPT
SCHEMBL8290666 0.76 ALDH1A1 (0.42) ALDH1A1KMT2APOLBTSHRMAPT
SCHEMBL13832028 0.75 KMT2A (0.69) ALDH1A1TP53KMT2ALMNAMAPT
SCHEMBL19160772 0.74 LMNA (0.61) ALDH1A1TP53KMT2APOLBLMNA
SCHEMBL13831454 0.74 LMNA (0.66) ALDH1A1TP53KMT2APOLBLMNA
SCHEMBL15983276 0.74 ALDH1A1 (0.79) ALDH1A1KMT2APOLBLMNATSHR
SCHEMBL13831430 0.73 POLB (0.82) ALDH1A1KMT2APOLBLMNATSHR
SCHEMBL18559297 0.72 ALDH1A1 (0.82) ALDH1A1POLBLMNATSHRMAPT

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