SCHEMBL7865656

SCHEMBL7865656

CC(C)(C)c1cc(CCC(=O)OCCSCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.OP(O)O.OP(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.42
ALOX5 P09917 1/20 0.41
APP P05067 1/20 0.39
VCAM1 P19320 3/20 0.38
HTT P42858 2/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
AGTR1 P30556 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL30165 0.96 GAA (0.52) GAAKMT2AMEN1ALOX5APP
Methane SCHEMBL9820093 0.95 GAA (0.51) GAAKMT2AMEN1ALOX5APP
SCHEMBL7151481 0.91 GAA (0.48) GAAKMT2AMEN1ALOX5APP
SCHEMBL9243301 0.91 GAA (0.48) GAAKMT2AMEN1ALOX5APP
SCHEMBL18473221 0.91 GAA (0.48) GAAKMT2AMEN1ALOX5APP
SCHEMBL15958595 0.91 GAA (0.48) GAAKMT2AMEN1ALOX5APP
SCHEMBL23197811 0.90 GAA (0.47) GAAKMT2AMEN1ALOX5APP
SCHEMBL15958276 0.90 GAA (0.47) GAAKMT2AMEN1ALOX5APP
SCHEMBL21880301 0.90 GAA (0.47) GAAKMT2AMEN1ALOX5APP
SCHEMBL17827255 0.90 GAA (0.47) GAAKMT2AMEN1ALOX5APP

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
US-6315956-B1 FOR DETECTING THE PRESENCE OF CHEMICAL ANALYTES WHICH ARE IN EITHER A LIQUID OR VAPOR PHASE PIRELLI CABLES AND SYSTEMS LLC 2001-11-13 US disclosed