SCHEMBL29074641

SCHEMBL29074641

CCOC(C(N)=O)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.48
SHBG P04278 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 2/20 0.36
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 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
SCHEMBL8162895 0.83 TSHR (0.40) EPHX1SHBGALDH1A1NPSR1TSHR
SCHEMBL24328850 0.83 TSHR (0.40) EPHX1SHBGALDH1A1NPSR1TSHR
SCHEMBL27638033 0.81 ALDH1A1 (0.47) SHBGALDH1A1NPSR1TSHRTHRB
SCHEMBL28026260 0.81 EPHX1 (0.48) EPHX1ALDH1A1NPSR1TP53
SCHEMBL1072314 0.81 ALDH1A1 (0.36) EPHX1SHBGALDH1A1NPSR1TSHR
SCHEMBL23247540 0.81 TSHR (0.38) EPHX1SHBGALDH1A1NPSR1TSHR
SCHEMBL24328845 0.81 TSHR (0.38) EPHX1SHBGALDH1A1NPSR1TSHR
SCHEMBL7805487 0.80 ALDH1A1 (0.39) EPHX1SHBGALDH1A1NPSR1TSHR
SCHEMBL1698334 0.79 EPHX1 (0.54) EPHX1ALDH1A1NPSR1TP53
SCHEMBL27508584 0.75 ALDH1A1 (0.48) SHBGALDH1A1NPSR1TSHRTHRB

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-116761480-A Preparation method of organic electrochemical transistor for ion selective sensing 浙江大学 2023-09-15 CN disclosed