SCHEMBL7952302

SCHEMBL7952302

CC(C)(C)OC(=O)N(CCCC=COC1CCCCO1)c1cc(OCc2ccccc2)c2ccccc2c1I

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.34
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
CREBBP Q92793 2/20 0.31
EP300 Q09472 1/20 0.31
ATR Q13535 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
SCHEMBL7945554 0.92 L3MBTL1 (0.34) L3MBTL1HTR2CSLC6A4CREBBPEP300
SCHEMBL7945551 0.81 L3MBTL1 (0.38) L3MBTL1
SCHEMBL6618750 0.81 L3MBTL1 (0.42) L3MBTL1
SCHEMBL7959273 0.80 L3MBTL1 (0.35) L3MBTL1
SCHEMBL29424477 0.76 KLK7 (0.35) L3MBTL1HTR2CSLC6A4
SCHEMBL29424475 0.76 KLK7 (0.35) L3MBTL1HTR2CSLC6A4
SCHEMBL1902732 0.76 KLK7 (0.35) L3MBTL1HTR2CSLC6A4
SCHEMBL8191113 0.76 PTGER1 (0.33) HTR2CSLC6A4
SCHEMBL12154963 0.74 L3MBTL1 (0.34) L3MBTL1
SCHEMBL12154966 0.74 L3MBTL1 (0.34) L3MBTL1

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