SCHEMBL27313495

SCHEMBL27313495

CCCCCCCCOC(O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.47
USP2 O75604 1/20 0.44
SPHK1 Q9NYA1 1/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
LPAR1 Q92633 6/20 0.40
LPAR3 Q9UBY5 6/20 0.40
LPAR2 Q9HBW0 2/20 0.40

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
SCHEMBL6233191 0.98 DNM1 (0.43) DNM1USP2SPHK1HTTMEN1
SCHEMBL5358156 0.91 TSHR (0.37) DNM1USP2SPHK1HTT
SCHEMBL10441645 0.86 DNM1 (0.47) DNM1USP2SPHK1HTTMEN1
SCHEMBL409835 0.86 DNM1 (0.47) DNM1USP2SPHK1HTTMEN1
SCHEMBL4248716 0.86 DNM1 (0.47) DNM1USP2SPHK1HTTMEN1
SCHEMBL4244542 0.86 DNM1 (0.47) DNM1USP2SPHK1HTTMEN1
SCHEMBL31253233 0.86 DNM1 (0.47) DNM1USP2SPHK1HTTMEN1
SCHEMBL16004875 0.86 DNM1 (0.47) DNM1USP2SPHK1HTTMEN1
SCHEMBL10441897 0.86 DNM1 (0.47) DNM1USP2SPHK1HTTMEN1
SCHEMBL4244283 0.86 DNM1 (0.47) DNM1USP2SPHK1HTTMEN1

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
CN-1032618-A TOBACCO SMOKING ARTICLE BLOCKERS C A INC (US) 1989-05-03 CN disclosed