SCHEMBL21089714

SCHEMBL21089714

CCC1(COc2ccc(OCC3(CC)COC3)c3ccccc23)COC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
PDE9A O76083 1/20 0.34
CTSK P43235 1/20 0.34
IDO1 P14902 2/20 0.33
HPGD P15428 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
NTSR1 P30989 1/20 0.33

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
SCHEMBL36068 0.88 TSHR (0.41) TSHRKMT2AMEN1POLBHSD17B10
SCHEMBL29366887 0.88 HTR1B (0.46) TSHRALDH1A1HPGDKDM4ETDP1
SCHEMBL1127659 0.88 HTR1B (0.46) TSHRALDH1A1HPGDKDM4ETDP1
SCHEMBL21089715 0.85 PDE9A (0.39) TSHRKMT2AMEN1POLBHSD17B10
SCHEMBL36031 0.83 TSHR (0.39) TSHRKMT2AMEN1POLBHSD17B10
SCHEMBL29682447 0.83 TSHR (0.39) TSHRKMT2AMEN1POLBHSD17B10
SCHEMBL213521 0.82 ALDH1A1 (0.46) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL29703117 0.82 ALDH1A1 (0.46) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL6885557 0.81 TSHR (0.36) TSHRKMT2AMEN1POLBHSD17B10
SCHEMBL15333996 0.81 TSHR (0.37) TSHRKMT2AMEN1POLBLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357488-A1 CURABLE RESIN COMPOSITION CANON KK (JP) 2023-11-09 US disclosed
US-20230357488-A1 CURABLE RESIN COMPOSITION CANON KK (JP) 2023-11-09 US disclosed
US-20190177469-A1 CURABLE RESIN COMPOSITION CANON KABUSHIKI KAISHA (JP) 2019-06-13 US disclosed