SCHEMBL10449728

SCHEMBL10449728

CC(C)COC(=O)C(C)N=C=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
RAB9A P51151 1/20 0.30
P2RX4 Q99571 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
SCHEMBL571924 0.81 ALDH1A1 (0.39) TSHRALDH1A1HSD17B10L3MBTL1
SCHEMBL4445980 0.81 ALDH1A1 (0.39) TSHRALDH1A1HSD17B10L3MBTL1
Water SCHEMBL27574776 0.79 ALDH1A1 (0.37) TSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL26129392 0.78
SCHEMBL31084746 0.78
SCHEMBL575915 0.78 HCAR2 (0.34) TSHRALDH1A1KDM4EHSD17B10TDP1
SCHEMBL2588666 0.76
SCHEMBL575570 0.76
SCHEMBL8377028 0.76
SCHEMBL9864572 0.75

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 13 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-4871864-A Carbamoyloxythiophene fungicides BAYER AKTIENGESELLSCHAFT (DE) 1989-10-03 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-0243776-A2 Carbamoyloxythiophene derivatives BAYER AG (DE) 1987-11-04 EP disclosed
EP-0241735-A2 Acyloxythiophene carbon amide BAYER AG (DE) 1987-10-21 EP disclosed
EP-0000023-B1 OMEGA-SUBSTITUTED PENTYL UREAS, THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1980-07-23 EP disclosed
US-4188401-A Combating fungi with 1-(ω-substituted pentyl)-3-(2-cyano-acetyl)-ureas BAYER AKTIENGESELLSCHAFT (DE) 1980-02-12 US disclosed
EP-0000023-A1 Omega-substituted pentyl ureas, their preparation and their use as fungicides BAYER AG (DE) 1978-12-20 EP disclosed
US-4079147-A Fungicidally active derivatives of carbamic acid oxime-esters of isonitrosocyanoacetic acid BAYER AKTIENGESELLSCHAFT (DT) 1978-03-14 US disclosed
US-3940390-A Process for the production of 2,3,4,5,6,7-hexahydrocyclopenta-(3)-1,3-oxazine-2,4-dione compounds BAYER AKTIENGESELLSCHAFT (DT) 1976-02-24 US disclosed