SCHEMBL9401629

SCHEMBL9401629

CC(C)(C)OC(=O)[C@H](NC/C=C/C(=O)O)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
CTSS P25774 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL9401661 1.00 CTSK (0.31) CTSKCA1CA2CA7MEN1
SCHEMBL10445498 0.83 CTSK (0.38) CTSKCA1CA2CA7CTSS
SCHEMBL7376784 0.83 CTSK (0.38) CTSKCA1CA2CA7CTSS
SCHEMBL7377349 0.83 CTSK (0.38) CTSKCA1CA2CA7CTSS
SCHEMBL10445511 0.83 BTN3A1 (0.36) CTSKCA1CA2CA7MEN1
SCHEMBL9401730 0.83 BTN3A1 (0.36) CTSKCA1CA2CA7MEN1
SCHEMBL9401927 0.83 BTN3A1 (0.36) CTSKCA1CA2CA7MEN1
SCHEMBL9401474 0.78 NPSR1 (0.40) CTSKMEN1GAAKMT2ACTSS
SCHEMBL9401786 0.78 NPSR1 (0.40) CTSKMEN1GAAKMT2ACTSS
SCHEMBL68202 0.75 CA1 (0.35) CTSKCA1CA2CA7MEN1

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-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 US disclosed