SCHEMBL8996032

SCHEMBL8996032

CC1=C(C)C2(C)C(C(=O)O)=C(C(=O)O)C12C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13996192 0.89 FFAR3 (0.32)
SCHEMBL5030841 0.70 MEN1 (0.31)
SCHEMBL30844612 0.67 NOTUM (0.36)
SCHEMBL31296892 0.65 FFAR3 (0.41)
SCHEMBL23375799 0.64 MMP2 (0.44) ALDH1A1
SCHEMBL31518863 0.64
SCHEMBL23375801 0.64 MMP2 (0.44) ALDH1A1
SCHEMBL6903585 0.63 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL22077237 0.61 FFAR3 (0.38)
SCHEMBL3670978 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187770-B2 High performance, crosslinked polymeric material for holographic data storage THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-29 US disclosed
US-20090104561-A1 High performance, crosslinked polymeric material for holographic data storage REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2009-04-23 US disclosed
US-7459263-B2 Optical recording media with triplet-sensitized isomerization EASTMAN KODAK COMPANY (US) 2008-12-02 US disclosed