SCHEMBL20364005

SCHEMBL20364005

CC(=O)CCOc1ccc2ccc(=O)oc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 11/20 0.69
CA9 Q16790 11/20 0.69
CA1 P00915 9/20 0.69
CA7 P43166 5/20 0.69
CA6 P23280 4/20 0.69
CA14 Q9ULX7 4/20 0.69
CA4 P22748 4/20 0.69
CA5B Q9Y2D0 3/20 0.69
CA5A P35218 3/20 0.69
CA2 P00918 2/20 0.69
CA3 P07451 2/20 0.69
CYP1A2 P05177 1/20 0.64
KDM4E B2RXH2 7/20 0.63
ALDH1A1 P00352 5/20 0.63
MTNR1A P48039 2/20 0.63
TDP1 Q9NUW8 3/20 0.62
POLB P06746 2/20 0.62
GLA P06280 2/20 0.62
GAA P10253 1/20 0.62
HPGD P15428 3/20 0.61

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
SCHEMBL29641465 0.87 CA12 (0.68) CA12CA9CA1CA7CA6
SCHEMBL4890078 0.87 CA12 (0.68) CA12CA9CA1CA7CA6
SCHEMBL15510534 0.86 CA12 (0.69) CA12CA9CA1CA7CA6
SCHEMBL8869879 0.85 KDM4E (0.72) CA12CA9CA1CA7CA6
SCHEMBL12304245 0.85 CA12 (0.81) CA12CA9CA1CA7CA6
SCHEMBL19886586 0.84 CA9 (0.68) CA12CA9CA1CA7CA6
SCHEMBL7952557 0.83 CA12 (0.69) CA12CA9CA1CA7CA6
SCHEMBL29371658 0.82 CA12 (0.54) CA12CA9CA1CA7CA6
SCHEMBL6834561 0.82 CA12 (1.00) CA12CA9CA1CA7CA6
SCHEMBL8515810 0.82 CA12 (1.00) CA12CA9CA1CA7CA6

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-10780195-B2 Controllably degradable compositions and methods Massachusetts Instiitute of Technology (US) 2020-09-22 US disclosed
US-20180193518-A1 Controllably Degradable Compositions and Methods MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2018-07-12 US disclosed
US-20180193518-A1 Controllably Degradable Compositions and Methods MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2018-07-12 US disclosed