SCHEMBL11559999

SCHEMBL11559999

CC(C)C(=O)C(C)(C)SN(C)C(=O)Oc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.48
ALDH1A1 P00352 2/20 0.48
PGR P06401 1/20 0.48
GAA P10253 1/20 0.48
PTGS1 P23219 1/20 0.48
MAPK1 P28482 1/20 0.48
NCEH1 Q6PIU2 10/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 1/20 0.41
MMP2 P08253 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
SCHEMBL11562777 0.84 ALDH1A1 (0.42) ALDH1A1NCEH1LMNAKMT2AMEN1
SCHEMBL11562709 0.84 ALDH1A1 (0.49) ALDH1A1NCEH1KDM4ELMNAKMT2A
SCHEMBL11562192 0.79 TSHR (0.39) HSD17B10ALDH1A1NCEH1LMNAKMT2A
SCHEMBL11563702 0.77 L3MBTL1 (0.34) NCEH1LMNAKMT2AL3MBTL1MEN1
SCHEMBL11567127 0.77 MEN1 (0.43) NCEH1KDM4ELMNAKMT2AMEN1
SCHEMBL30524163 0.75 NCEH1 (0.69) HSD17B10ALDH1A1PGRGAAPTGS1
SCHEMBL11561373 0.74 LMNA (0.55) ALDH1A1LMNAKMT2AMEN1RAB9A
SCHEMBL27341784 0.73 HSD17B10 (0.63) HSD17B10ALDH1A1PGRGAAPTGS1
SCHEMBL11376230 0.72 HSD17B10 (0.48) HSD17B10ALDH1A1PGRGAAPTGS1
SCHEMBL11558690 0.72 ALDH1A1 (0.61) HSD17B10ALDH1A1PGRGAAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4179514-A INSECTICIDES, MITICIDES, NEMATOCIDES UNION CARBIDE CORPORATION (US) 1979-12-18 US disclosed
US-4081550-A KETOALKANESULFENYL AND KETOALKANETHIOSULFENYL CARBAMATES UNION CARBIDE CORPORATION (US) 1978-03-28 US disclosed
US-4066689-A KETOALKANESULFENYLCARBAMOYL AND KETOALKANETHIOSULFENYLCARBAMOYL HALIDES UNION CARBIDE CORPORATION (US) 1978-01-03 US disclosed