SCHEMBL3768405

SCHEMBL3768405

COc1ccc(C(=O)c2ccc(C)c(C)c2OC)c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
CHRNA7 P36544 1/20 0.43
TUBB1 Q9H4B7 3/20 0.43
PDE4D Q08499 2/20 0.43
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
PKM P14618 1/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL9726919 0.88 MAPT (0.58) TDP1MAPTMEN1KMT2ATUBB1
SCHEMBL26441468 0.81 TUBB1 (0.54) SMN1; SMN2LMNATUBB1
SCHEMBL7367549 0.79 MAPT (0.50) TDP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10589919 0.79 KMT2A (0.50) TDP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4404407 0.78 ALDH1A1 (0.44) TDP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL31027936 0.78 ALDH1A1 (0.44) TDP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6667907 0.77 ALDH1A1 (0.43) TDP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1919502 0.77 TDP1 (0.50) TDP1MAPTMEN1KMT2ALMNA
SCHEMBL26791643 0.77 MAPT (0.54) TDP1MAPTKMT2ALMNAMAPK1
SCHEMBL30023898 0.77 MAPT (0.54) TDP1MAPTKMT2ALMNAMAPK1

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
US-7846958-B2 Fungicidal use BASF SE (DE) 2010-12-07 US claimed
US-5945567-A Fungicidal 2-methoxybenzophenones AMERICAN CYANAMID COMPANY (US) 1999-08-31 US claimed