SCHEMBL6135874

SCHEMBL6135874

CC(C)(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CCR1 P32246 1/20 0.53
POLB P06746 2/20 0.52
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL3320633 0.89 CCR1 (0.55) CCR1
SCHEMBL6135862 0.85 MEN1 (0.47) MEN1KMT2ACCR1POLB
SCHEMBL13798752 0.84 MEN1 (0.55) MEN1KMT2ACCR1
SCHEMBL3321981 0.84 CCR1 (0.48) CCR1
SCHEMBL2226429 0.82 CTSK (0.50) MEN1KMT2ACCR1
SCHEMBL2226432 0.82 CTSK (0.50) MEN1KMT2ACCR1
SCHEMBL3318502 0.81 SRD5A1 (0.55) KMT2ACCR1L3MBTL1
SCHEMBL3320205 0.81 CCR1 (0.48) CCR1
SCHEMBL3322049 0.80 CYP3A4 (0.49) KMT2ACCR1
SCHEMBL7370466 0.80 ALDH1A1 (0.56)

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-6908911-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-06-21 US disclosed
EP-1210330-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-04-20 EP disclosed
EP-1210330-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-06-05 EP disclosed
WO-2001010835-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 WO disclosed