SCHEMBL6825792

SCHEMBL6825792

CC(C)(C)OC(=O)C(=CCCCCc1ccccc1)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CTSK P43235 2/20 0.40
CTSS P25774 1/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC3 O15379 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
HDAC4 P56524 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 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
SCHEMBL6825790 1.00 SIGMAR1 (0.42) SIGMAR1POLBMAPTRXFP1CTSK
SCHEMBL6824060 0.82 KDM4E (0.41) MAPTSLC6A3
SCHEMBL6824067 0.82 KDM4E (0.41) MAPTSLC6A3
SCHEMBL6824073 0.82 KDM4E (0.41) MAPTSLC6A3
SCHEMBL28266052 0.80 POLB (0.43) SIGMAR1POLBMAPTRXFP1CTSK
SCHEMBL7366413 0.76 SIGMAR1 (0.40) SIGMAR1MAPTRXFP1CTSK
SCHEMBL27689037 0.74 MAPT (0.50) SIGMAR1POLBMAPTRXFP1HDAC1
SCHEMBL6425130 0.73 TRPV1 (0.51) SIGMAR1POLBMAPTRXFP1ALOX5
SCHEMBL6425129 0.73 TRPV1 (0.51) SIGMAR1POLBMAPTRXFP1ALOX5
SCHEMBL9574045 0.72 AKT1 (0.41) MAPTCTSKCTSSMAPK1AKT1

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