SCHEMBL7444041

SCHEMBL7444041

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CAPN1 P07384 1/20 0.46
CTSK P43235 3/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
AAK1 Q2M2I8 4/20 0.45
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 0.40

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
SCHEMBL90111 0.90 CA1 (0.50) TDP1CA1CA2CA7CAPN1
SCHEMBL57148 0.90 CA1 (0.50) TDP1CA1CA2CA7CAPN1
SCHEMBL24311830 0.85 TDP1 (0.49) TDP1CA1CA2CA7CTSK
SCHEMBL2296898 0.85 TDP1 (0.49) TDP1CA1CA2CA7CTSK
SCHEMBL28323890 0.85 TDP1 (0.49) TDP1CA1CA2CA7CTSK
SCHEMBL2296899 0.85 TDP1 (0.49) TDP1CA1CA2CA7CTSK
SCHEMBL17577036 0.85 PLA2G10 (0.55) CA1CA2CA7CAPN1CTSK
SCHEMBL19227630 0.85 CA1 (0.58) CA1CA2CA7CAPN1CTSK
SCHEMBL19337851 0.84 TDP1 (0.47) TDP1CA1CA2CA7CTSK
SCHEMBL26799152 0.84 TDP1 (0.47) TDP1CA1CA2CA7CTSK

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-0577775-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INT (US) 1995-01-11 EP disclosed
US-5332726-A Anticoagulant RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-07-26 US disclosed
EP-0577775-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-01-12 EP disclosed
WO-1992017196-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-10-15 WO disclosed