SCHEMBL1960360

SCHEMBL1960360

CCCCCCC(CC)COC(=O)/C=C/c1ccc(OC)cc1

nearest known ligand 0.91

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.91
LMNA P02545 2/20 0.56
TAS1R3 Q7RTX0 4/20 0.53
TAS1R1 Q7RTX1 4/20 0.53
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 1/20 0.47
GSK3B P49841 1/20 0.47
F3 P13726 1/20 0.46
APP P05067 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45

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
SCHEMBL1960361 1.00 TDP1 (0.91) TDP1LMNATAS1R3TAS1R1PRSS1
SCHEMBL9098850 1.00 TDP1 (0.91) TDP1LMNATAS1R3TAS1R1PRSS1
SCHEMBL9098855 1.00 TDP1 (0.91) TDP1LMNATAS1R3TAS1R1PRSS1
Octinoxate SCHEMBL15803545 0.95 TDP1 (1.00) TDP1LMNATAS1R3TAS1R1SMN1; SMN2
SCHEMBL20480681 0.95 TDP1 (0.82) TDP1LMNATAS1R3TAS1R1SMN1; SMN2
Octinoxate SCHEMBL30252195 0.95 TDP1 (1.00) TDP1LMNATAS1R3TAS1R1SMN1; SMN2
SCHEMBL20480720 0.95 TDP1 (0.82) TDP1LMNATAS1R3TAS1R1SMN1; SMN2
Octinoxate SCHEMBL39360 0.95 TDP1 (1.00) TDP1LMNATAS1R3TAS1R1SMN1; SMN2
Octinoxate SCHEMBL15609 0.95 TDP1 (1.00) TDP1LMNATAS1R3TAS1R1SMN1; SMN2
Octinoxate SCHEMBL1768913 0.95 TDP1 (1.00) TDP1LMNATAS1R3TAS1R1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110139887-A1 Method of Atomization NIKKISO CO., LTD. (JP) 2011-06-16 US claimed
US-8460401-B2 Method of atomization NIKKISO CO., LTD. (JP) 2013-06-11 US disclosed
US-20110139887-A1 Method of Atomization NIKKISO CO., LTD. (JP) 2011-06-16 US disclosed
EP-2226119-A1 METHOD OF ATOMIZATION NIKKISO CO., LTD. (JP) 2010-09-08 EP disclosed