SCHEMBL7778277

SCHEMBL7778277

CC(C)(C)OC(=O)NCCCOc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.52
MYC P01106 1/20 0.46
MAX P61244 1/20 0.46
SGMS2 Q8NHU3 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
HDAC1 Q13547 1/20 0.43

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
SCHEMBL7342620 0.93 BRD4 (0.50) BRD4SGMS2MEN1KMT2ATDP1
SCHEMBL7345964 0.90 LMNA (0.49) MEN1KMT2AGAA
SCHEMBL7342119 0.85 SGMS2 (0.46) BRD4SGMS2MEN1KMT2AGAA
SCHEMBL7338831 0.83 PYGL (0.47) MEN1KMT2AL3MBTL1GAA
SCHEMBL7344642 0.82 HDAC1 (0.43) BRD4MEN1KMT2AGAAHDAC1
SCHEMBL7344138 0.82 GAA (0.42) BRD4GAA
SCHEMBL7778567 0.81 KDM4E (0.55) TDP1L3MBTL1
SCHEMBL7348561 0.78 TP53 (0.39) L3MBTL1GAA
SCHEMBL7344390 0.78 RXFP1 (0.42) MEN1KMT2AGAA
SCHEMBL1497381 0.78 EGFR (0.46) BRD4

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-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed