SCHEMBL9309809

SCHEMBL9309809

CC1=C(C)C(=O)C(C(CCCCCC(=O)NCC(=O)O)c2ccccc2)=C(C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.45
PTPN1 P18031 1/20 0.43
ASAH1 Q13510 1/20 0.43
HDAC3 O15379 4/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
TBXAS1 P24557 1/20 0.40
TBXA2R P21731 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL7833657 0.87 HDAC1 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9308117 0.86 TBXAS1 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
Seratrodast SCHEMBL98402 0.86 TBXAS1 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
Seratrodast SCHEMBL98403 0.86 TBXAS1 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9309807 0.85 HDAC1 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9307576 0.85 MEN1 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9308585 0.85 TBXAS1 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2459057 0.83 TBXAS1 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9310852 0.82 PTPRC (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9019233 0.82 PTPRC (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6

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-0232089-B1 QUINONE AMIDES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-03-13 EP claimed
EP-0232089-A2 Quinone amides, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-08-12 EP claimed
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-0232089-B1 QUINONE AMIDES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-03-13 EP disclosed
EP-0232089-A2 Quinone amides, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-08-12 EP disclosed