SCHEMBL9658652

SCHEMBL9658652

CCCC(C)c1cccc(-c2cccc(C(C)CCC)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
RIPK1 Q13546 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGS2 P35354 1/20 0.36
PTPN5 P54829 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
AOC3 Q16853 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL27494967 0.89 HDAC4 (0.44) HDAC4HDAC2HDAC8RIPK1SMN1; SMN2
SCHEMBL7630768 0.83 HDAC4 (0.41) HDAC4HDAC2HDAC8RXRARXRB
SCHEMBL198138 0.83 HDAC4 (0.56) HDAC4HDAC2HDAC8RXRARXRB
SCHEMBL14076067 0.82 PTPN5 (0.37) HDAC4HDAC2HDAC8RXRARXRB
SCHEMBL6374643 0.82 TAS1R3 (0.42) HDAC4HDAC2HDAC8RIPK1AOC3
SCHEMBL15721667 0.80 PARP1 (0.42) HDAC4HDAC2HDAC8RIPK1SMN1; SMN2
SCHEMBL7634268 0.80 PTGS2 (0.41) HDAC4HDAC2HDAC8RIPK1SMN1; SMN2
SCHEMBL21726124 0.80 PARP1 (0.42) HDAC4HDAC2HDAC8RIPK1SMN1; SMN2
SCHEMBL18923583 0.80 OPRM1 (0.44) HDAC4HDAC2HDAC8AOC3
SCHEMBL14607991 0.80 AOC3 (0.41) HDAC4HDAC2HDAC8AOC3

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
EP-0475926-A2 Oxidation of dialkyl polyaromatics to dicarboxypolyaromatics MONSANTO COMPANY (US) 1992-03-18 EP disclosed