SCHEMBL6705015

SCHEMBL6705015

COc1cc(OC)c(C(=O)C(Br)CCC2CCCCC2)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.46
HTR4 Q13639 8/20 0.46
AAK1 Q2M2I8 2/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38

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
SCHEMBL6703008 0.86 ALDH1A1 (0.41) ACHEHTR4ALDH1A1KDM4EPARP15
SCHEMBL6698989 0.85 ACHE (0.46) ACHEHTR4ALDH1A1KDM4EPARP15
SCHEMBL27598410 0.83 PARP15 (0.40) ACHEHTR4ALDH1A1KDM4EPARP15
SCHEMBL6704355 0.73 ACHE (0.44) ACHEHTR4ALDH1A1KDM4EPARP15
SCHEMBL6701768 0.70 POLB (0.50) ALDH1A1KDM4EPARP15PARP10POLB
SCHEMBL6699183 0.70 PARP15 (0.54) ALDH1A1PARP15PARP10POLBMEN1
SCHEMBL1918763 0.66 LCK (0.66) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL6705065 0.65 MMP1 (0.33) POLBMEN1KMT2AMMP1MMP2
SCHEMBL6703970 0.65 ACHE (0.43) ACHEHTR4ALDH1A1KDM4EPOLB
SCHEMBL6699193 0.65 ACHE (0.46) ACHEHTR4ALDH1A1KDM4EPARP15

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