SCHEMBL7945554

SCHEMBL7945554

CC(C)(C)OC(=O)N(CCCC=COC1CCCCO1)c1cc(OCc2ccccc2)c2ccccc2c1Br

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.34
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
ATR Q13535 1/20 0.32
EP300 Q09472 1/20 0.32
CREBBP Q92793 1/20 0.32
ADAM17 P78536 1/20 0.31
CCR5 P51681 1/20 0.30
CNR2 P34972 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP19A1 P11511 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL7952302 0.92 L3MBTL1 (0.34) L3MBTL1HTR2CSLC6A4ATREP300
SCHEMBL8191113 0.83 PTGER1 (0.33) HTR2CSLC6A4CYP19A1
SCHEMBL7953762 0.81 L3MBTL1 (0.38) L3MBTL1CCR5MAPTHPGD
SCHEMBL7952320 0.80 L3MBTL1 (0.42) L3MBTL1HPGD
SCHEMBL7959955 0.80 L3MBTL1 (0.35) L3MBTL1HPGD
SCHEMBL7945551 0.72 L3MBTL1 (0.38) L3MBTL1MAPTHPGD
SCHEMBL7959273 0.71 L3MBTL1 (0.35) L3MBTL1HPGD
SCHEMBL6618750 0.71 L3MBTL1 (0.42) L3MBTL1HPGD
SCHEMBL18883282 0.68 FFAR4 (0.35) L3MBTL1HTR2CSLC6A4CNR2
SCHEMBL25834108 0.68 FFAR4 (0.35) L3MBTL1HTR2CSLC6A4CNR2

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
US-6281354-B1 ANTIBIOTICS; ANTITUMOR AGENTS THE SCRIPPS RESEARCH INSTITUTE 2001-08-28 US disclosed
EP-0983248-A4 ANALOGS OF DUOCARMYCIN AND CC-1065 SCRIPPS RESEARCH INST (US) 2000-09-13 EP disclosed
EP-0983248-A1 ANALOGS OF DUOCARMYCIN AND CC-1065 The Scripps Research Institute (US) 2000-03-08 EP disclosed
WO-1998052925-A1 ANALOGS OF DUOCARMYCIN AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 1998-11-26 WO disclosed