SCHEMBL9004086

SCHEMBL9004086

CCOC1CCS(=O)(=O)c2c(C)cc(C(=O)C3C(=O)CC(C)(C)CC3=O)c(C)c21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.37
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
POLB P06746 2/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.31

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
SCHEMBL9004078 0.90 SPR (0.40) SPRALDH1A1MAPT
SCHEMBL9004056 0.87 SPR (0.35) SPR
SCHEMBL9004023 0.82
SCHEMBL9004024 0.78 SPR (0.41) SPRALDH1A1POLB
SCHEMBL7974532 0.76 SPR (0.36) SPRALDH1A1KDM4EHIF1A
SCHEMBL6772639 0.76 SPR (0.40) SPR
SCHEMBL9004027 0.75 SPR (0.36) SPR
SCHEMBL8319872 0.74 SPR (0.50) SPRALDH1A1MAPTKDM4EPOLB
SCHEMBL9004054 0.73 SPR (0.35) SPR
SCHEMBL8941103 0.73 PDE4B (0.31)

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
US-5480858-A HERBICIDES; LOW DOSAGE; CORN, BARLEY, WHEAT IDEMITSU KOSAN CO., LTD. (JP) 1996-01-02 US claimed
US-5480858-A HERBICIDES; LOW DOSAGE; CORN, BARLEY, WHEAT IDEMITSU KOSAN CO., LTD. (JP) 1996-01-02 US disclosed