SCHEMBL21154699

SCHEMBL21154699

C=CC(=O)OCCCOc1ccc(C(C)(C)c2ccc(OCCCC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
HPGD P15428 1/20 0.59
THRB P10828 2/20 0.51
ALDH1A1 P00352 8/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 9/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 1/20 0.46
POLB P06746 3/20 0.44
CYP3A4 P08684 1/20 0.44
PLA2G4B P0C869 1/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL246239 0.96 THRB (0.55) TSHRHPGDTHRBALDH1A1GAA
SCHEMBL11132915 0.93 THRB (0.55) TSHRHPGDTHRBALDH1A1GAA
SCHEMBL7630968 0.92 THRB (0.51) TSHRHPGDTHRBALDH1A1GAA
SCHEMBL7625535 0.92 THRB (0.51) TSHRHPGDTHRBALDH1A1GAA
SCHEMBL5899547 0.91 THRB (0.61) TSHRHPGDTHRBALDH1A1GAA
SCHEMBL825028 0.91 THRB (0.50) TSHRHPGDTHRBALDH1A1GAA
SCHEMBL137572 0.89 THRB (0.65) TSHRHPGDTHRBALDH1A1GAA
SCHEMBL14173110 0.89 THRB (0.65) TSHRHPGDTHRBALDH1A1GAA
SCHEMBL28483790 0.88 THRB (0.61) TSHRHPGDTHRBALDH1A1GAA
SCHEMBL11035951 0.87 POLB (0.53) TSHRHPGDTHRBALDH1A1GAA

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
EP-3508538-A1 INK-JET INK COMPOSITION AND IMAGE FORMATION METHOD FUJIFILM Corporation (JP) 2019-07-10 EP disclosed