SCHEMBL7090930

SCHEMBL7090930

CCOC(=O)C(C=O)Oc1cccc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
LMNA P02545 1/20 0.46
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 1/20 0.41
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL27363641 0.86 TDP1 (0.49) TDP1L3MBTL1LMNAALDH1A1TSHR
SCHEMBL11863178 0.82 ALDH1A1 (0.45) TDP1L3MBTL1LMNAALDH1A1TSHR
SCHEMBL5209949 0.80 L3MBTL1 (0.55) TDP1L3MBTL1LMNAALDH1A1TSHR
SCHEMBL11785469 0.77 LMNA (0.47) TDP1L3MBTL1LMNAALDH1A1TSHR
SCHEMBL5204140 0.77 PPARG (0.46) TDP1L3MBTL1LMNAALDH1A1TSHR
SCHEMBL11778290 0.77 KMT2A (0.45) TDP1L3MBTL1LMNAALDH1A1MAPK1
SCHEMBL5210241 0.77 PPARA (0.48) TDP1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL14440810 0.76 LMNA (0.46) TDP1L3MBTL1LMNASMN1; SMN2ACHE
SCHEMBL14234150 0.75 LMNA (0.52) TDP1L3MBTL1LMNAALDH1A1SMN1; SMN2
SCHEMBL14233586 0.75 LMNA (0.52) TDP1L3MBTL1LMNAALDH1A1SMN1; SMN2

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-1339688-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-09-03 EP disclosed
WO-2002036567-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-05-10 WO disclosed