SCHEMBL8319872

SCHEMBL8319872

Cc1cc(C(=O)C2C(=O)CC(C)(C)CC2=O)c(C)c2c1S(=O)(=O)CCC2=O.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.50
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 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
SCHEMBL6772641 0.80 SPR (0.43) SPRKDM4EALDH1A1POLBMAPT
SCHEMBL8133758 0.77 SPR (0.42) SPRKDM4EMEN1KMT2A
SCHEMBL8317930 0.76 ALDH1A1 (0.34) SPRKDM4EALDH1A1POLBMAPT
SCHEMBL9004086 0.74 SPR (0.37) SPRKDM4EALDH1A1POLBMAPT
SCHEMBL6768806 0.72 SPR (0.48) SPR
SCHEMBL6771351 0.72 SPR (0.48) SPRKDM4EMEN1KMT2A
SCHEMBL6771365 0.72 SPR (0.48) SPRKDM4EMEN1KMT2A
SCHEMBL8814072 0.70 SPR (0.43) SPR
SCHEMBL6777860 0.67 SPR (0.45) SPR
SCHEMBL8452699 0.67 SPR (0.40) SPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946540-A1 SUBSTITUTED BENZOTHIOPYRANES SALTS AND THEIR USE AS HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-10-06 EP claimed
WO-1998028291-A1 SUBSTITUTED BENZOTHIOPYRANES SALTS AND THEIR USE AS HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-07-02 WO claimed