SCHEMBL8347883

SCHEMBL8347883

CC(C)(C)OP(=O)(COS(=O)(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
CA2 P00918 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
GAA P10253 2/20 0.34
PKM P14618 1/20 0.34
AOX1 Q06278 1/20 0.33
CA1 P00915 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALPG P10696 1/20 0.32
ALOX12 P18054 1/20 0.32
NPY1R P25929 1/20 0.32
HTT P42858 1/20 0.32
NPY2R P49146 1/20 0.32

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
SCHEMBL2496661 0.74 CA2 (0.31) CA2
SCHEMBL26720249 0.73 CA2 (0.30) CA2
SCHEMBL12214858 0.71
SCHEMBL16382046 0.70
SCHEMBL28225367 0.68 NPSR1 (0.45) TSHRALDH1A1MEN1KMT2AGAA
SCHEMBL3361071 0.67 TSHR (0.46) TSHRCA2KMT2ACA1CA9
SCHEMBL16047105 0.67 POLB (0.45) TSHRALDH1A1MEN1KMT2AGAA
SCHEMBL8342228 0.67 CA2 (0.33) CA2CA1
SCHEMBL28519671 0.66 ALDH1A1 (0.52) TSHRCA2ALDH1A1MEN1KMT2A
SCHEMBL27333189 0.66 L3MBTL1 (0.50) TSHRCA2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968916-A AGRICULTURAL INSECTICIDES, NEMATOCIDES OR MITICIDES MONSANTO COMPANY (US) 1999-10-19 US disclosed
US-5811578-A 4-BROMO-3-CHLORO-3,4,4-TRIFLUOROBUTANOYL CHLORIDE MONSANTO COMPANY (US) 1998-09-22 US disclosed
US-5723470-A NEMATOCIDES, INSECTICIDES OR MITICIDES MONSANTO COMPANY (US) 1998-03-03 US disclosed
US-5708032-A THIOAMIDES MONSANTO COMPANY (US) 1998-01-13 US disclosed
US-5700840-A PESTICIDES FOR AGRICULTURAL CROPS MONSANTO COMPANY (US) 1997-12-23 US disclosed
US-5627174-A NEMATOCIDES, INSECTICIDES AND MITICIDES MONSANTO COMPANY (US) 1997-05-06 US disclosed
US-5514717-A AGRICULTURAL USE, NEMATOCIDES, MITICIDES, INSECTICIDES MONSANTO COMPANY (US) 1996-05-07 US disclosed