SCHEMBL10451644

SCHEMBL10451644

CCCCOC(=O)C(CCCC)N=C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
ATM Q13315 2/20 0.40
TSHR P16473 7/20 0.38
HPGD P15428 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
NAAA Q02083 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34
ESR1 P03372 3/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 2/20 0.33
EPHX1 P07099 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
NR1H2 P55055 1/20 0.33

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
SCHEMBL11438850 0.93 MAPT (0.43) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL16710359 0.93 ALDH1A1 (0.42) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL23553042 0.88 MAPT (0.41) ALDH1A1CA1CA2NAAAMAPT
SCHEMBL11236918 0.88 ALDH1A1 (0.36) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL3417815 0.88 CA2 (0.38) ALDH1A1ATMTSHRCA1CA2
SCHEMBL21891970 0.87 DGKA (0.42) ALDH1A1ATMTSHRHPGDNAAA
SCHEMBL26108644 0.87 CA1 (0.33) ALDH1A1ATMTSHRCA1CA2
SCHEMBL25964438 0.87 DGKA (0.42) ALDH1A1ATMTSHRHPGDNAAA
SCHEMBL25964471 0.87 DGKA (0.42) ALDH1A1ATMTSHRHPGDNAAA
SCHEMBL11443787 0.87 MAPT (0.43) CA2NAAAMAPTEPHX1

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 8 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