SCHEMBL10449702

SCHEMBL10449702

CCCCC(N=C=O)C(=O)OCC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.38
CA1 P00915 4/20 0.38
CTSK P43235 3/20 0.34
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CTSS P25774 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
SCHEMBL3417815 0.83 CA2 (0.38) CA2CA1MAPK1CYP3A4TSHR
SCHEMBL2133713 0.83 CTSK (0.39) CA2CA1CTSKCTSS
SCHEMBL10451644 0.82 ALDH1A1 (0.42) CA2CA1MAPK1CYP3A4TSHR
SCHEMBL10451509 0.80 CA2 (0.50) CA2CA1MAPK1CYP3A4TSHR
SCHEMBL20361871 0.80 CA2 (0.50) CA2CA1MAPK1CYP3A4TSHR
SCHEMBL4907463 0.80 CA2 (0.50) CA2CA1MAPK1CYP3A4TSHR
SCHEMBL10695428 0.79 CA2 (0.50) CA2CA1CTSKMAPK1CYP3A4
SCHEMBL11977585 0.78 ZDHHC7 (0.36) CA2CA1CTSKCTSS
SCHEMBL10451486 0.78 L3MBTL1 (0.37) CA2CA1MAPK1CYP3A4TSHR
SCHEMBL14079863 0.78 ZDHHC7 (0.36) CA2CA1CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4960768-A Acyloxythiophene-carboxamide fungicides BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
US-4863954-A Acyloxythiophene-carboxamide fungicides BAYER AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
US-4839381-A FUNGICIDES, PESTICIDES; RICE PLANTS BAYER AKTIENGESELLSCHAFT (DE) 1989-06-13 US disclosed
US-4767757-A Acyloxythiophene-carboxamide fungicides, compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1988-08-30 US disclosed
US-4757085-A Pharmaceuticals BAYER AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed
EP-0241735-A2 Acyloxythiophene carbon amide BAYER AG (DE) 1987-10-21 EP disclosed