SCHEMBL7974667

SCHEMBL7974667

COc1c2c(c(OC)c(OC)c1OC)CC(CCCOc1ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc1)C2

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 16/20 0.53
L3MBTL1 Q9Y468 14/20 0.53
MBTD1 Q05BQ5 5/20 0.53
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
TP53BP1 Q12888 1/20 0.51
L3MBTL4 Q8NA19 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
Hydrochloric Acid SCHEMBL7972683 0.99 L3MBTL3 (0.52) L3MBTL3L3MBTL1MBTD1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7977435 0.86 L3MBTL3 (0.50) L3MBTL3L3MBTL1MBTD1ALDH1A1HPGD
SCHEMBL7961213 0.82 HRH3 (0.57)
Hydrochloric Acid SCHEMBL7971441 0.81 HRH3 (0.56)
SCHEMBL7961432 0.81 HPGD (0.54) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL7961401 0.77 TP53 (0.49) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14287744 0.76 L3MBTL3 (0.67) L3MBTL3L3MBTL1MBTD1ALDH1A1TP53BP1
SCHEMBL7961494 0.76 MAPT (0.56) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7971231 0.74 GPR119 (0.53) L3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL7974351 0.74 TP53 (0.51) L3MBTL1MEN1KMT2A

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 3 patents. 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
EP-0968164-A1 BICYCLIC QUINONE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-01-05 EP disclosed
WO-1998033758-A1 BICYCLIC QUINONE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-06 WO disclosed