SCHEMBL6705065

SCHEMBL6705065

COC1=CCC(Br)(OC)C=C1C(=O)C(Br)CCC1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 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
SCHEMBL6702459 0.81 NPC1 (0.38) L3MBTL1MEN1KMT2A
SCHEMBL6705060 0.68 ALDH1A1 (0.31) MMP1MMP2MMP3L3MBTL1MEN1
SCHEMBL6703008 0.65 ALDH1A1 (0.41) MEN1KMT2A
SCHEMBL6705015 0.65 ACHE (0.46) MMP1MMP2MMP3MEN1KMT2A
SCHEMBL6698989 0.65 ACHE (0.46) MEN1KMT2A
SCHEMBL27598410 0.63 PARP15 (0.40) MEN1KMT2A
SCHEMBL4161910 0.61 METAP1 (0.42) MEN1KMT2APOLB
SCHEMBL1303034 0.58 POLB (0.50) MMP1POLB
SCHEMBL29039482 0.57 LCK (0.39)
SCHEMBL29039480 0.57 LCK (0.39)

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-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed
CN-1478075-A Chemical process and new intermediates ��ŵ�Ѻϳ�ʵ���� 2004-02-25 CN disclosed
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed