SCHEMBL10487514

SCHEMBL10487514

C=CCOC(=O)C(=O)CC(CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
CASP1 P29466 1/20 0.32
SYK P43405 1/20 0.32
CTSK P43235 4/20 0.32
CYP2D6 P10635 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
MAPT P10636 1/20 0.31
BTN3A1 O00481 1/20 0.30
ATM Q13315 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
SCHEMBL9622351 0.86 CTSK (0.36) SYKCTSKCYP2D6CA1CA2
SCHEMBL30732632 0.83 SMN1; SMN2 (0.38) SMN1; SMN2CTSKCYP2D6CA1CA2
SCHEMBL30732806 0.83 SMN1; SMN2 (0.38) SMN1; SMN2CTSKCYP2D6CA1CA2
SCHEMBL10487647 0.83 SMN1; SMN2 (0.40) SMN1; SMN2CTSKCYP2D6CA1CA2
SCHEMBL5199242 0.82 CASP1 (0.40) CASP1
SCHEMBL210068 0.82 CTSK (0.39) SMN1; SMN2CTSKCYP2D6CA1CA2
SCHEMBL16564865 0.82 CTSK (0.39) SMN1; SMN2CTSKCYP2D6CA1CA2
SCHEMBL210067 0.82 CTSK (0.39) SMN1; SMN2CTSKCYP2D6CA1CA2
SCHEMBL4520424 0.79 CA1 (0.38) SYKCTSKCYP2D6CA1CA2
SCHEMBL7346754 0.79 CA1 (0.38) SYKCTSKCYP2D6CA1CA2

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-4824974-A Synthesis for the preparation of 4-amino-4,5-dihydro-2-furancarboxylic acid MERRELL DOW PHARMACEUTICALS INC. (US) 1989-04-25 US claimed