SCHEMBL11250768

SCHEMBL11250768

CCOC(=O)CC(C(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
PPARA Q07869 1/20 0.42
HTT P42858 1/20 0.41
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CXCR3 P49682 1/20 0.41
CFTR P13569 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 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
SCHEMBL12102197 0.94 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AL3MBTL1MAPTABCB11
SCHEMBL11248532 0.92 SMN1; SMN2 (0.46) SMN1; SMN2RAB9AL3MBTL1MAPTABCB11
SCHEMBL11730496 0.86 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AL3MBTL1MAPTABCB11
SCHEMBL11867222 0.84 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AL3MBTL1MAPTABCB11
SCHEMBL13116544 0.84 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AL3MBTL1MAPTABCB11
SCHEMBL11244038 0.83 KMT2A (0.54) SMN1; SMN2MAPTTSHRHTR2AALDH1A1
SCHEMBL11733617 0.81 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1MAPTABCB11CYP1A2
SCHEMBL31478197 0.80 LMNA (0.50) SMN1; SMN2L3MBTL1TSHRALDH1A1GAA
SCHEMBL13116549 0.79 SMN1; SMN2 (0.45) SMN1; SMN2RAB9AL3MBTL1MAPTTSHR
SCHEMBL2848362 0.78 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1MAPTABCB11CYP1A2

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
US-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 US disclosed