SCHEMBL20145294

SCHEMBL20145294

CCCCCCOC(C)(NCCCCC)OCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 11/20 0.39
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
POLB P06746 1/20 0.35
GBA1 P04062 2/20 0.34
ACHE P22303 2/20 0.33
THRB P10828 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
SCHEMBL20145238 0.91 DNM1 (0.45) EPHX1TSHRALDH1A1
SCHEMBL10580311 0.85 EPHX1 (0.41) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL28353998 0.85 EPHX1 (0.41) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL22971850 0.78 EPHX1 (0.41) EPHX1TSHRTHRB
SCHEMBL20145190 0.78 CES1 (0.39) EPHX1GBA1ACHETHRB
SCHEMBL16491134 0.75 HTT (0.47) EPHX1TSHRALDH1A1ADH1BADH1C
Iodide SCHEMBL1502916 0.75 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
Iodide SCHEMBL15053833 0.75 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL6518034 0.73 TSHR (0.36) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL26749122 0.72 MEN1 (0.43) EPHX1TSHRALDH1A1POLBTHRB

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
EP-2646410-B1 NOVEL AGENTS FOR REWORKABLE EPOXY RESINS CONNORA TECH INC (US) 2018-05-16 EP disclosed