SCHEMBL29153155

SCHEMBL29153155

CCC1(O)CCCC1.CCC1(O)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
CYP2C19 P33261 1/20 0.31
USP2 O75604 1/20 0.30
TSHR P16473 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
SCHEMBL305816 1.00
SCHEMBL955188 0.97 CYP2C19 (0.34) SLC6A4SLC6A3CYP2C19USP2TSHR
SCHEMBL43020 0.97
SCHEMBL355528 0.97 CYP2C19 (0.34) SLC6A4SLC6A3CYP2C19USP2TSHR
SCHEMBL6062608 0.97 CYP2C19 (0.34) SLC6A4SLC6A3CYP2C19USP2TSHR
Ammonia Solution, Strong SCHEMBL5830917 0.94 CYP2C19 (0.33) SLC6A4SLC6A3CYP2C19USP2TSHR
Hydrochloric Acid SCHEMBL5718393 0.94 CYP2C19 (0.33) SLC6A4SLC6A3CYP2C19USP2TSHR
SCHEMBL129903 0.93
Bicarbonate SCHEMBL14990798 0.87 CYP2C19 (0.38) CYP2C19USP2TSHR
SCHEMBL5904378 0.87 CYP2C19 (0.31) CYP2C19

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
CN-117546077-A Contact lens and method for manufacturing the same 日油株式会社 2024-02-09 CN disclosed