SCHEMBL8029175

SCHEMBL8029175

C=CC(=O)OC12CC3CC(C)(CC(C)(C3)C1)C2.C=CC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL36327 0.85 MEN1 (0.37) HDAC3HDAC1HDAC8HDAC6EPHX2
SCHEMBL15290900 0.83 MEN1 (0.34) HDAC3HDAC1HDAC8HDAC6EPHX2
SCHEMBL685080 0.77 MEN1 (0.31)
SCHEMBL12153596 0.74
SCHEMBL12170597 0.74
SCHEMBL29878566 0.73 MEN1 (0.36) EPHX2
SCHEMBL3291365 0.73 TSHR (0.30)
SCHEMBL12432875 0.73 TSHR (0.40) EPHX2
SCHEMBL13126848 0.72 TSHR (0.35)
SCHEMBL12153652 0.72 MEN1 (0.32) HDAC3HDAC1HDAC8HDAC6EPHX2

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
US-6139826-A HAIR STYLING COMPOSITION CONTAINING GRAFT COPOLYMER HAS AN ORGANIC HYDROPHILIC BACKBONE AND GRAFTS COMPRISING A HYDROPHOBIC MACROMONOMER CHEMICALLY JOINED AND PENDANT THERETO AND A HYDROPHILIC SOLVENT THE PROCTER & GAMBLE COMPANY (US) 2000-10-31 US disclosed