SCHEMBL4000385

SCHEMBL4000385

COc1cc(-c2oc3ccc(C(C(C)=O)N4CCC(Cc5ccccc5)CC4)cc3c2SC)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK14 Q16539 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
ACHE P22303 1/20 0.36
GMNN O75496 1/20 0.36
PMP22 Q01453 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3998431 0.88 LMNA (0.40) ALDH1A1LMNAUSP2TSHRHTT
SCHEMBL4003849 0.88 ACHE (0.41) ALDH1A1GAAMEN1KMT2AACHE
SCHEMBL4000459 0.85 ALDH1A1 (0.42) ALDH1A1LMNAHPGDMAPK1CYP2C9
SCHEMBL3013804 0.83 ALDH1A1 (0.50) ALDH1A1LMNAUSP2TSHRHTT
SCHEMBL3013194 0.81 ALDH1A1 (0.47) ALDH1A1LMNAUSP2TSHRHTT
SCHEMBL4000382 0.81 GRIN1 (0.48) ALDH1A1LMNAUSP2TSHRHTT
SCHEMBL4001686 0.79 MAPT (0.42) ALDH1A1LMNAUSP2TSHRHTT
SCHEMBL4002432 0.79 ALDH1A1 (0.40) ALDH1A1LMNATSHRHPGDMEN1
SCHEMBL2998041 0.76 NPC1 (0.40) ALDH1A1LMNAHPGDMAPK1CYP2C9
SCHEMBL3999096 0.76 ACHE (0.41) ALDH1A1GAAMEN1KMT2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069321-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF Digital Biotech Co., Ltd. (KR) 2009-06-17 EP disclosed
WO-2008041826-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DIGITAL BIOTECH CO., LTD (KR) 2008-04-10 WO disclosed