SCHEMBL11130633

SCHEMBL11130633

CCOC(=O)C(CC(=O)c1ccccc1OCc1ccccc1)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.49
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
SGMS2 Q8NHU3 2/20 0.46
PTGER1 P34995 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PPIA P62937 1/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BRD4 O60885 1/20 0.44

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
SCHEMBL14805182 0.83 NPC1 (0.48) HTTL3MBTL1LMNAMEN1KMT2A
SCHEMBL16008105 0.82 TSHR (0.51) L3MBTL1LMNAMEN1KMT2ANPC1
SCHEMBL657429 0.81 ABCB1 (0.47) ABCB1HTTL3MBTL1LMNASGMS2
SCHEMBL3822474 0.81 L3MBTL1 (0.58) HTTL3MBTL1LMNAMEN1KMT2A
SCHEMBL377080 0.78 ABCB1 (0.61) ABCB1HTTL3MBTL1LMNASGMS2
SCHEMBL340937 0.77 HTT (0.69) HTTL3MBTL1SGMS2PTGER1MEN1
SCHEMBL6025409 0.77 L3MBTL1 (0.45) HTTL3MBTL1LMNAPTGER1MAPT
SCHEMBL4431127 0.77 SGMS2 (0.59) ABCB1HTTL3MBTL1LMNASGMS2
SCHEMBL657253 0.77 KDM4E (0.46) ABCB1HTTL3MBTL1LMNASGMS2
SCHEMBL30535266 0.76 SGMS2 (0.52) ABCB1HTTL3MBTL1LMNASGMS2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0037062-B1 SUBSTITUTED 3-ARYL-2-CYCLOALKENE-1-ONES, PROCESS FOR THEIR PREPARATION AND THEIR PARMACEUTICAL USE Beiersdorf Aktiengesellschaft (DE) 1984-10-17 EP disclosed
US-4401831-A ADRENOLYTIC AND HYPOTENSIVE AGENTS BEIERSDORF AKTIENGESELLSCHAFT (DE) 1983-08-30 US disclosed
US-4358460-A HYPOTENSIVE, ANTIARRHYTHMIA, ANGINA PECTORIS BEIERSDORF AKTIENGESELLSCHAFT (DE) 1982-11-09 US disclosed
EP-0037062-A2 Substituted 3-aryl-2-cycloalkene-1-ones, process for their preparation and their parmaceutical use Beiersdorf Aktiengesellschaft (DE) 1981-10-07 EP disclosed