SCHEMBL9857754

SCHEMBL9857754

CCCCOC(=O)COC/C=C/c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 2/20 0.46
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BCHE P06276 4/20 0.44
ACHE P22303 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FAAH O00519 1/20 0.42
PPARA Q07869 3/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL9857547 0.95 TSHR (0.47) TDP1TSHRBCHEACHEFAAH
SCHEMBL15704679 0.83 TDP1 (0.53) TDP1KDM4ETSHRL3MBTL1BCHE
SCHEMBL9131007 0.83 TDP1 (0.53) TDP1KDM4ETSHRL3MBTL1BCHE
SCHEMBL9117410 0.81 IDO1 (0.52) TDP1MEN1KMT2A
SCHEMBL12459724 0.81 IDO1 (0.52) TDP1MEN1KMT2A
SCHEMBL2196874 0.81 TDP1 (0.51) TDP1KDM4ETSHRL3MBTL1BCHE
SCHEMBL9857423 0.80 IDO1 (0.47) MEN1KMT2A
SCHEMBL4964059 0.79 PAM (0.51) TDP1KDM4ETSHRL3MBTL1BCHE
SCHEMBL1305900 0.77 MMP1 (0.47) TDP1KDM4ETSHRL3MBTL1MEN1
SCHEMBL1305901 0.77 MMP1 (0.47) TDP1KDM4ETSHRL3MBTL1MEN1

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-0301401-B1 LEUKOTRIENE ANTAGONISTS, PROCESS FOR THEIR PREPARATION, THEIR USE IN THE TREATMENT OF ILLNESSES HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-27 EP disclosed
EP-0301401-A2 Leukotriene antagonists, process for their preparation, their use in the treatment of illnesses HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-01 EP disclosed