SCHEMBL7601071

SCHEMBL7601071

COc1cc(C)c(C(=O)c2c(C)ccc3ccccc23)c(OCc2ccccc2F)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 4/20 0.45
MAPT P10636 4/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
PARP15 Q460N3 2/20 0.42
PARP10 Q53GL7 2/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX12 P18054 1/20 0.39
BLM P54132 1/20 0.39
PLEC Q15149 1/20 0.39
LMNA P02545 2/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
KRAS P01116 1/20 0.39

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
SCHEMBL6740056 0.87 MAPT (0.46) MAPTPOLBMAPK1PARP15PARP10
SCHEMBL6738712 0.84 MAPT (0.46) MAPTPOLBMAPK1PARP15PARP10
SCHEMBL6742068 0.84 MAPT (0.50) MAPTPOLBMAPK1PARP15PARP10
SCHEMBL7601885 0.84 CTSD (0.51) CTSDMAPTPOLBMEN1KMT2A
SCHEMBL6691257 0.83 MAPT (0.52) MAPTPOLBMAPK1PARP15PARP10
SCHEMBL7520130 0.81 MAPT (0.51) MAPTPOLBMAPK1PARP15PARP10
SCHEMBL6738705 0.81 MAPT (0.41) MAPTPOLBMAPK1PARP15PARP10
SCHEMBL7603075 0.80 MAPT (0.46) MAPTPOLBMAPK1PARP15PARP10
SCHEMBL7521840 0.77 CTSD (0.57) CTSDMAPTPOLBMEN1KMT2A
SCHEMBL7597538 0.73 KRAS (0.46) MAPTPOLBMEN1KMT2ASMN1; SMN2

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-20020155518-A1 Method of detecting compounds that control fungal diseases via effects on sporulation BASF AKTIENGESELLSCHAFT (DE) 2002-10-24 US disclosed