SCHEMBL9316394

SCHEMBL9316394

CCC(C)CC(=O)CC(C)CCC=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 1/20 0.32
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
SCHEMBL16052588 0.86 CYP2C19 (0.39) ALOX15ALDH1A1TSHR
SCHEMBL7898326 0.85 TSHR (0.41) ALDH1A1TSHR
SCHEMBL261739 0.80
SCHEMBL5160007 0.80
SCHEMBL10146424 0.80
SCHEMBL1509686 0.80 TDP1 (0.37) ALDH1A1TSHR
SCHEMBL11405886 0.79 TSHR (0.44) TSHR
Propane SCHEMBL1389491 0.78 ALDH1A1 (0.41) ALDH1A1TSHR
Ethane SCHEMBL27996829 0.78 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL7093722 0.78 TSHR (0.33) ALOX15ALDH1A1TSHR

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
EP-0628026-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE. BASF AG (DE) 1994-12-14 EP disclosed
WO-1993016985-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1993-09-02 WO disclosed