SCHEMBL7495223

SCHEMBL7495223

COc1cc(CC(C)=O)c(C(=O)c2ccccc2Cl)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
CYP3A4 P08684 2/20 0.53
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.52
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CXCL12 P48061 1/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 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
SCHEMBL7433697 0.82 CYP3A4 (0.57) LMNACYP3A4KMT2APOLBMAPT
SCHEMBL9362833 0.79 CYP3A4 (0.50) CYP3A4KMT2APOLBMAPTMEN1
SCHEMBL3821131 0.79 LMNA (0.64) LMNAKMT2ACES2CES1MAPT
SCHEMBL7436116 0.76 CYP3A4 (0.60) CYP3A4KMT2APOLBMAPTCYP1A2
SCHEMBL17770569 0.76 LMNA (0.60) LMNAKMT2APOLBCES2CES1
SCHEMBL16913355 0.75 POLB (0.52) CYP3A4KMT2APOLBMAPTHPGD
SCHEMBL7437535 0.74 LMNA (0.53) LMNAKMT2ACES2CES1MAPT
SCHEMBL3825882 0.74 LMNA (0.59) LMNAKMT2ACES2CES1MEN1
SCHEMBL15570068 0.74 CYP3A4 (0.54) LMNACYP3A4KMT2APOLBMAPT
SCHEMBL16361704 0.74 CYP3A4 (0.50) LMNACYP3A4KMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4322346-A 5H-2,3-Benzodiazepine derivatives KOROSI JENO 1982-03-30 US disclosed