SCHEMBL8554341

SCHEMBL8554341

CC(C)(C)OC(=O)N[C@@H](C1CC1)[C@@H](O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.41
CTSS P25774 6/20 0.41
KMT2A Q03164 2/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
BTK Q06187 1/20 0.38
CYP2D6 P10635 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL8286493 0.94 BTK (0.46) CTSKCTSSKMT2ACA1CA2
SCHEMBL5848683 0.94 CTSK (0.42) CTSKCTSSKMT2ACA1CA2
SCHEMBL6477906 0.92 CTSK (0.44) CTSKCTSSKMT2ACA1CA2
SCHEMBL8279336 0.80 BTK (0.41) CTSKCTSSKMT2ACA1CA2
SCHEMBL8288558 0.80 BTK (0.41) CTSKCTSSKMT2ACA1CA2
SCHEMBL16885211 0.79 CYP2D6 (0.43) CTSKCTSSKMT2ACA1CA2
SCHEMBL1273387 0.78 AAK1 (0.48) CTSKCTSSKMT2ACA1CA2
SCHEMBL1349093 0.78 AAK1 (0.48) CTSKCTSSKMT2ACA1CA2
SCHEMBL1349095 0.78 AAK1 (0.48) CTSKCTSSKMT2ACA1CA2
SCHEMBL571434 0.78 CA1 (0.43) CTSKCTSSKMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0712854-B1 Baccatin derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1998-07-01 EP disclosed
US-5608073-A TAXANE INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 1997-03-04 US disclosed
US-5589502-A ANTITUMOR TANABE SEIYAKU CO., LTD. (JP) 1996-12-31 US disclosed
EP-0712854-A1 Baccatin derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1996-05-22 EP disclosed