SCHEMBL7986306

SCHEMBL7986306

COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)n(C)n2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
FYN P06241 1/20 0.46
TUBB4A P04350 4/20 0.45
TUBB P07437 4/20 0.45
TUBA3C P0DPH7 4/20 0.45
TUBA1B P68363 4/20 0.45
TUBA4A P68366 4/20 0.45
TUBB4B P68371 4/20 0.45
TUBB3 Q13509 4/20 0.45
TUBB2A Q13885 4/20 0.45

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
SCHEMBL19668723 0.75 MAPT (0.47) CA1CA2ALDH1A1SMN1; SMN2LMNA
SCHEMBL28233679 0.73 MAPT (0.56) CA1CA2KDM4EMEN1ALDH1A1
SCHEMBL3435546 0.72 MAPT (0.47) CA1CA2KDM4EMEN1ALDH1A1
SCHEMBL18492964 0.72 HDAC8 (0.58) KDM4EMEN1ALDH1A1HPGDMAPK1
SCHEMBL2765741 0.72 CA1 (0.40) CA1CA2KDM4EALDH1A1HPGD
SCHEMBL2764186 0.72 FYN (0.40) CA1CA2KDM4EALDH1A1HPGD
SCHEMBL11077809 0.71 MAPT (0.54) CA1CA2MEN1ALDH1A1MAPK1
SCHEMBL6693299 0.71 ATM (0.55) KDM4EMEN1ALDH1A1HPGDMAPK1
SCHEMBL2448859 0.71 KIT (0.58) KDM4EMEN1ALDH1A1HPGDMAPK1
SCHEMBL28234703 0.70 KDM4E (0.47) KDM4EMEN1ALDH1A1HPGDMAPK1

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-2010000372-A2 NEW DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2010-01-07 WO disclosed