SCHEMBL25008930

SCHEMBL25008930

C=CC(=O)OCCCCOc1ccc(NNc2ccc(NNc3ccc(NNc4ccc(OCCCCCCC)cc4)cc3)c(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
FAAH O00519 13/20 0.42
PLK1 P53350 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL25008939 0.95 THRB (0.45) TSHRHPGDMAPTALDH1A1GAA
SCHEMBL25008936 0.90 THRB (0.45) TSHRHPGDMAPTALDH1A1GAA
SCHEMBL25008937 0.89 THRB (0.52) TSHRHPGDMAPTALDH1A1GAA
SCHEMBL25008933 0.84 THRB (0.45) TSHRHPGDMAPTALDH1A1TP53
SCHEMBL25008931 0.82 THRB (0.58) TSHRHPGDALDH1A1GAAS1PR1
SCHEMBL23730215 0.80 TSHR (0.50) TSHRHPGDALDH1A1GAAS1PR1
SCHEMBL16225743 0.78 TSHR (0.63) TSHRHPGDALDH1A1TP53
SCHEMBL17162483 0.78 TSHR (0.63) TSHRHPGDALDH1A1TP53
SCHEMBL25008940 0.77 THRB (0.41) TSHRHPGDALDH1A1TP53
SCHEMBL24590742 0.76 RAB9A (0.57) TSHRHPGDMAPTALDH1A1MAPK1

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-20230039106-A1 LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2023-02-09 US disclosed