SCHEMBL7420274

SCHEMBL7420274

O=C(COC1CCCC1)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
GSK3B P49841 2/20 0.47
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5799404 0.83 ALDH1A1 (0.47) MAPTRAB9ANPC1HPGDGSK3B
SCHEMBL27878732 0.81 KMT2A (0.46) MAPTRAB9AHPGDLMNAKDM4E
SCHEMBL15746272 0.78 ALDH1A1 (0.64) MAPTRAB9ANPC1HPGDGSK3B
SCHEMBL17212624 0.76 ALDH1A1 (0.63) MAPTRAB9ANPC1HPGDLMNA
SCHEMBL13623506 0.75 ALDH1A1 (0.49) MAPTRAB9ANPC1HPGDGSK3B
SCHEMBL866784 0.74 GSK3B (0.61) MAPTRAB9ANPC1HPGDGSK3B
SCHEMBL4575816 0.73 NPC1 (0.58) MAPTRAB9ANPC1HPGDGSK3B
SCHEMBL13169508 0.72 PTPRF (0.65) MAPTRAB9ANPC1LMNAKMT2A
SCHEMBL19318949 0.72 MAPT (0.53) MAPTRAB9ANPC1HPGDGSK3B
SCHEMBL20054203 0.71 POLB (0.53) MAPTRAB9AGSK3BHDAC3HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995004046-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 WO disclosed