SCHEMBL9730337

SCHEMBL9730337

CC(C)COC(C)C(C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
RNPEP Q9H4A4 1/20 0.34
SLC7A5 Q01650 1/20 0.34
TP53 P04637 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.30

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
SCHEMBL9730369 0.78 LMNA (0.39) TP53
SCHEMBL566390 0.78 LMNA (0.39) TP53
SCHEMBL31369953 0.77 SLC7A5 (0.46) TSHRSLC7A5CYP2D6CYP2C19
SCHEMBL9731456 0.77 CHRM1 (0.40) TSHR
Hydrochloric Acid SCHEMBL9730110 0.76 LMNA (0.38) TP53
SCHEMBL10593783 0.76 SLC1A3 (0.43) TSHRRNPEPSLC7A5MMP1MMP2
SCHEMBL18039277 0.75 MMP1 (0.45) TSHRRNPEPSLC7A5TP53MMP1
SCHEMBL4368789 0.75 TSHR (0.38) TSHRRNPEPSLC7A5TP53MMP1
SCHEMBL5718402 0.75 MMP1 (0.45) TSHRRNPEPSLC7A5TP53MMP1
SCHEMBL15290584 0.75 TSHR (0.38) TSHRRNPEPSLC7A5TP53MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5167863-A Ferroelectricity; electrooptic switches HITACHI, LTD. (JP) 1992-12-01 US disclosed
EP-0322862-A2 Optically active compounds, their preparation and their use in liquid crystal compositions and liquid crystal optical modulators HITACHI, LTD. (JP) 1989-07-05 EP disclosed