SCHEMBL14359451

SCHEMBL14359451

CC(C)(O)C(C)(C)O.CCCCCCc1ccsc1B(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.47
LPL P06858 6/20 0.41
TRPV1 Q8NER1 1/20 0.41
MGLL Q99685 1/20 0.41
GPR35 Q9HC97 1/20 0.37
TYR P14679 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYSLTR2 Q9NS75 2/20 0.35
CYSLTR1 Q9Y271 2/20 0.35
TNNC1 P63316 5/20 0.34
SGPL1 O95470 1/20 0.34

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
SCHEMBL13325342 0.92 LIPG (0.54) LIPGLPLTRPV1MGLLGPR35
SCHEMBL1651743 0.92 LIPG (0.54) LIPGLPLTRPV1MGLLGPR35
SCHEMBL26488592 0.92 LIPG (0.54) LIPGLPLTRPV1MGLLGPR35
SCHEMBL526232 0.82 LIPG (0.39) LIPGLPLTRPV1MGLLGPR35
SCHEMBL336725 0.82 LIPG (0.39) LIPGLPLTRPV1MGLLGPR35
SCHEMBL4270833 0.73 LIPG (0.41) LIPGLPLTRPV1MGLLTYR
SCHEMBL1650895 0.72 LIPG (0.43) LIPGLPLTRPV1MGLLGPR35
Boric Acid SCHEMBL28238629 0.72 TAAR1 (0.43) LIPGLPLTRPV1MGLLMEN1
SCHEMBL2970195 0.71 LIPG (0.46) LIPGLPLGPR35TYRMEN1
SCHEMBL10414775 0.71 TYR (0.49) LIPGTYRMEN1TP53CYP3A4

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-2013001519-A1 PHOTOACTIVE CONJUGATED POLYMER COMPRISING DIBENZOTHIENYLPYRROLE UNITS ENI S.P.A. (IT) 2013-01-03 WO disclosed