SCHEMBL6824067

SCHEMBL6824067

CC(C)(C)OC(=O)/C(=C\CCCCc1ccccc1)COC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6824073 1.00 KDM4E (0.41) KDM4EKMT2AMEN1TDP1SLC6A2
SCHEMBL6824060 1.00 KDM4E (0.41) KDM4EKMT2AMEN1TDP1SLC6A2
SCHEMBL6825792 0.82 SIGMAR1 (0.42) SLC6A3MAPT
SCHEMBL6825790 0.82 SIGMAR1 (0.42) SLC6A3MAPT
SCHEMBL28266052 0.75 POLB (0.43) TDP1SLC6A3NPC1RAB9AMAPT
SCHEMBL2691863 0.70 MAPK1 (0.53) KDM4EKMT2AMEN1TDP1SLC6A2
SCHEMBL6425129 0.69 TRPV1 (0.51) MAPT
SCHEMBL6425130 0.69 TRPV1 (0.51) MAPT
SCHEMBL3821882 0.68 TDP1 (0.79) KMT2ATDP1SLC6A2SLC6A3NPC1
SCHEMBL7277798 0.68 HDAC1 (0.53) TDP1SLC6A3NPC1RAB9AMAPT

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-0871439-B1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS AVENTIS PHARMA INC (US) 2004-03-31 EP disclosed
US-6057369-A USE IN THE TREATMENT OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY WHICH ARE CAPABLE OF BEING MODULATED BY INHIBITING A MATRIX METALLOPROTEINASE (MMP), TUMOR NECROSIS FACTOR (TNF) OR CYCLIC AMP RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-05-02 US disclosed