SCHEMBL7959955

SCHEMBL7959955

COC(=O)C=CCCCN(C(=O)OC(C)(C)C)c1cc(OCc2ccccc2)c2ccccc2c1Br

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
HDAC8 Q9BY41 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
SMPD1 P17405 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
APP P05067 3/20 0.33
MTNR1A P48039 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAP3K7 O43318 1/20 0.33
TAB1 Q15750 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL7959273 0.91 L3MBTL1 (0.35) L3MBTL1KDM4EALDH1A1HPGDHDAC8
SCHEMBL7952320 0.89 L3MBTL1 (0.42) L3MBTL1KDM4EALDH1A1HPGDMRGPRX4
SCHEMBL7953762 0.88 L3MBTL1 (0.38) L3MBTL1KDM4EALDH1A1HPGDUSP2
SCHEMBL7945554 0.80 L3MBTL1 (0.34) L3MBTL1HPGD
SCHEMBL6618750 0.79 L3MBTL1 (0.42) L3MBTL1KDM4EALDH1A1HPGDLMNA
SCHEMBL7945551 0.78 L3MBTL1 (0.38) L3MBTL1KDM4EALDH1A1HPGDMRGPRX4
SCHEMBL8317086 0.73 HDAC8 (0.40) L3MBTL1KDM4EHDAC8APPMTNR1A
SCHEMBL8321897 0.72 MTNR1A (0.40) L3MBTL1KDM4EHDAC8APPMTNR1A
SCHEMBL7952302 0.72 L3MBTL1 (0.34) L3MBTL1
SCHEMBL13311249 0.70 L3MBTL1 (0.37) L3MBTL1MRGPRX4

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-6281354-B1 ANTIBIOTICS; ANTITUMOR AGENTS THE SCRIPPS RESEARCH INSTITUTE 2001-08-28 US disclosed