SCHEMBL11468754

SCHEMBL11468754

CCC1(COC(=O)c2cccc3ccccc23)COC2(CC(C)(C)N(C)C(C)(C)C2)OC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
CDC25B P30305 2/20 0.42
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
CDC25A P30304 1/20 0.40
CDC25C P30307 1/20 0.40
DRD3 P35462 1/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 1/20 0.39
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
CACNA1B Q00975 2/20 0.36
APBA1 Q02410 2/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL10030767 0.82 CDC25B (0.51) HRH3CDC25BALDH1A1KDM4ECDC25A
SCHEMBL11459385 0.76 TSHR (0.33) ALDH1A1MAPTTSHR
SCHEMBL11450769 0.76 TSHR (0.54) HPGDMAPTTSHR
SCHEMBL11468678 0.75 MEN1 (0.37) ALDH1A1HPGDMAPTTSHRPOLB
SCHEMBL11202373 0.73 TSHR (0.32) TSHR
SCHEMBL13242262 0.72 PRKCA (0.40) ALDH1A1TSHR
SCHEMBL11449565 0.71 LMNA (0.38) ALDH1A1KDM4EMAPTTSHR
SCHEMBL11458868 0.70 GAA (0.42) ALDH1A1TSHR
SCHEMBL14830040 0.69 TSHR (0.50) CDC25BALDH1A1KDM4EHPGDMAPT
SCHEMBL277672 0.68 CDC25B (0.82) HRH3CDC25BALDH1A1KDM4ECDC25A

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-4212974-A POLYMER STABILIZERS SANKYO COMPANY LIMITED (JP) 1980-07-15 US disclosed