SCHEMBL9296162

SCHEMBL9296162

C=C(C(=O)O)C(C1=CCCC1)C1=CCCC1.O=C(O)C=COc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
TBXAS1 P24557 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
SCHEMBL36366 0.79 HDAC3 (0.33)
SCHEMBL3045538 0.72 HTT (0.47) HTT
SCHEMBL226234 0.72 HTT (0.47) HTT
SCHEMBL730693 0.65 HTT (0.47) HTT
SCHEMBL730692 0.65 HTT (0.47) HTT
SCHEMBL11060383 0.63 CYP3A4 (0.34)
SCHEMBL222929 0.63 GSTP1 (0.31)
SCHEMBL2860802 0.62 HDAC4 (0.38) TBXAS1
SCHEMBL10613213 0.62 ALDH1A1 (0.46) HTT
SCHEMBL3918424 0.62 CASP1 (0.40)

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-5310595-A Multilayer element with radiation transparent backing on paper and toner receptive coating of (meth)acrylate copolymers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-05-10 US claimed