SCHEMBL7961297

SCHEMBL7961297

COc1c2c(c(OC)c(OC)c1OC)CC(CCCCCCCC=O)(c1ccccc1)C2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
ICMT O60725 1/20 0.30
DPP4 P27487 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SLC6A4 P31645 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
SCHEMBL7961210 0.83 L3MBTL1 (0.32) L3MBTL1MEN1KMT2AICMTDPP4
SCHEMBL7961222 0.83 OPRM1 (0.36) L3MBTL1MEN1KMT2AICMTDPP4
SCHEMBL2437957 0.73 DPP4 (0.44) L3MBTL1MEN1KMT2ADPP4SLC6A4
SCHEMBL27851037 0.71 MAOA (0.47) L3MBTL1MEN1KMT2AICMTDPP4
SCHEMBL7971401 0.65 LMNA (0.40) MEN1KMT2AMMP2MMP3MMP9
SCHEMBL7974408 0.63 EPHX2 (0.39) L3MBTL1MEN1KMT2AMMP2MMP3
SCHEMBL7972666 0.58 CYP4F2 (0.45)
SCHEMBL5264224 0.58 TACR1 (0.49) SLC6A4
SCHEMBL5593684 0.58 KCNA3 (0.64) ALDH1A1
SCHEMBL7500091 0.58 KCNA3 (0.64) ALDH1A1

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
US-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed