SCHEMBL3715392

SCHEMBL3715392

CC(C)COC(=O)N1CCCC(C(=O)Nc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 4/20 0.53
GAA P10253 4/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.52
HPGD P15428 2/20 0.51
CCKBR P32239 1/20 0.51
MEN1 O00255 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RHOA P61586 1/20 0.49
LMNA P02545 1/20 0.48
F10 P00742 1/20 0.48
TP53BP1 Q12888 1/20 0.48

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
SCHEMBL2453924 0.93 TRPV1 (0.53) HTTKMT2AGAAALDH1A1HPGD
SCHEMBL3443753 0.84 PARP1 (0.62) HTTSMN1; SMN2KMT2AGAAPOLB
SCHEMBL3443750 0.84 PARP1 (0.62) HTTSMN1; SMN2KMT2AGAAPOLB
SCHEMBL13106468 0.84 PARP1 (0.62) HTTSMN1; SMN2KMT2AGAAPOLB
SCHEMBL21670300 0.82 ALDH1A1 (0.47) SMN1; SMN2GAAALDH1A1POLBRAB9A
SCHEMBL21669960 0.82 ALDH1A1 (0.47) SMN1; SMN2GAAALDH1A1POLBRAB9A
SCHEMBL3715390 0.81 ABL1 (0.62) HTTSMN1; SMN2KMT2AGAAALDH1A1
SCHEMBL5870918 0.81 ABL1 (0.62) HTTSMN1; SMN2KMT2AGAAALDH1A1
SCHEMBL486205 0.77 KMT2A (0.65) HTTSMN1; SMN2KMT2AGAAPOLB
SCHEMBL259345 0.77 PARP1 (0.62) KMT2AGAAALDH1A1CCKBRMEN1

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-2010120854-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-10-21 WO disclosed