SCHEMBL7561013

SCHEMBL7561013

Cc1c(C(=O)C2C(=O)CCCC2=O)ccc2c1OCCS2(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.33
SPR P35270 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
SCHEMBL6773319 0.80 HPD (0.36) HPDSPR
SCHEMBL8130863 0.79 KDM4E (0.34)
SCHEMBL9004040 0.73 HPD (0.32) HPD
SCHEMBL6778413 0.72 HPD (0.34) HPDSPR
SCHEMBL6773095 0.71 SPR (0.33) HPDSPR
SCHEMBL6773084 0.71 SPR (0.33) HPDSPR
SCHEMBL8516491 0.71 KDM4E (0.33)
SCHEMBL6749195 0.71 HPD (0.33) HPD
SCHEMBL9004044 0.71 HPD (0.30) HPD
SCHEMBL9004017 0.71 ALDH1A1 (0.33) HPD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888334-B1 2-HETAROYLCYCLOHEXANE-1,3-DIONES BASF AG (DE) 2002-07-31 EP disclosed
US-6013607-A PLANT GROWTH CONTROLLER BASF AKTIENGESELLSCHAFT (DE) 2000-01-11 US disclosed
EP-0888334-A1 2-HETAROYLCYCLOHEXANE-1,3-DIONES BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
WO-1997030986-A1 2-HETAROYLCYCLOHEXANE-1,3-DIONES BASF AKTIENGESELLSCHAFT (DE) 1997-08-28 WO disclosed