SCHEMBL7821080

SCHEMBL7821080

COc1ccc(C(CCCCC(=O)O)C2=C(C)C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.42
CDC25B P30305 2/20 0.42
MAP2K7 O14733 1/20 0.42
PDE4B Q07343 1/20 0.42
TBXAS1 P24557 3/20 0.42
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
HKDC1 Q2TB90 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 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
SCHEMBL7828948 0.99 TBXAS1 (0.43) CDC25ACDC25BMAP2K7PDE4BTBXAS1
SCHEMBL2460183 0.89 PDE4B (0.45) PDE4BTBXAS1HTTNPSR1CNR1
SCHEMBL9664249 0.89 MEN1 (0.44) TBXAS1HTTNPSR1CNR1CNR2
SCHEMBL7829454 0.89 HDAC1 (0.48) PDE4BMMP2
SCHEMBL2453660 0.88 PDE4B (0.44) PDE4BTBXAS1HTTNPSR1CNR1
SCHEMBL7829923 0.88 HDAC1 (0.49)
SCHEMBL7832557 0.88 TBXAS1 (0.51) CDC25ACDC25BMAP2K7TBXAS1HTT
SCHEMBL7820846 0.85 TNF (0.39) PDE4BHTTNPSR1CNR1CNR2
SCHEMBL7821185 0.85 CNR2 (0.40) PDE4BHTTNPSR1CNR1CNR2
SCHEMBL7832521 0.84 CNR2 (0.39) PDE4BHTTNPSR1CNR1CNR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737671-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
US-5804601-A USEFUL FOR TREATING ALZHEIMER'S DISEASE, MULTIPLE SCLEROSIS, BACTERIAL OR VIRAL MENINGITIS, DOWN'S SYNDROME AND PARKINSON'S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-08 US disclosed
EP-0737671-A2 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-10-16 EP disclosed
US-5304658-A Quinone derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-19 US disclosed
US-5180742-A Lipoxygenase Inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-19 US disclosed
EP-0171251-A2 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-02-12 EP disclosed