SCHEMBL22201778

SCHEMBL22201778

CCOC1CC2CC(COCc3ccccc3)C1O2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
PDE4D Q08499 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.35
AKT1 P31749 1/20 0.34
HRH4 Q9H3N8 4/20 0.33
HRH3 Q9Y5N1 4/20 0.33
TACR2 P21452 1/20 0.33
SLC6A2 P23975 1/20 0.33
GJB2 P29033 1/20 0.33
PTPN1 P18031 1/20 0.33
CDC25B P30305 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
SCHEMBL22201779 0.80 MGLL (0.44) TSHR
SCHEMBL22201777 0.80 BCHE (0.38) BCHETAAR1HRH3
SCHEMBL10514784 0.73 TSHR (0.45) BCHEACHEPDE4DTAAR1LMNA
SCHEMBL10517771 0.73 TSHR (0.45) BCHEACHEPDE4DTAAR1LMNA
SCHEMBL9369568 0.73 TSHR (0.45) BCHEACHEPDE4DTAAR1LMNA
SCHEMBL9366165 0.73 TSHR (0.45) BCHEACHEPDE4DTAAR1LMNA
SCHEMBL30210778 0.69 TSHR (0.52) BCHEACHETAAR1LMNATSHR
SCHEMBL6138331 0.69 TSHR (0.52) BCHEACHETAAR1LMNATSHR
SCHEMBL9371287 0.68 PSEN1 (0.36) BCHEACHEPDE4D
SCHEMBL9416279 0.68 BCHE (0.47) BCHEACHEPDE4DTAAR1LMNA

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-20200216670-A1 THERMOSETTING SILICON-CONTAINING COMPOUND, COMPOSITION FOR FORMING A SILICON-CONTAINING FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-09 US disclosed