SCHEMBL8166451

SCHEMBL8166451

Cc1c(C(=O)C2C(=O)CCCC2=O)ccc2c1S(=O)(=O)CCC2=O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.41
SPR P35270 1/20 0.37
HPD P32754 1/20 0.34

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
SCHEMBL7992005 0.81 CXCR2 (0.46) CXCR2
SCHEMBL7997540 0.80 CXCR2 (0.45) CXCR2
SCHEMBL7617939 0.77 SPR (0.33) SPRHPD
SCHEMBL6773319 0.76 HPD (0.36) SPRHPD
SCHEMBL6768806 0.73 SPR (0.48) SPRHPD
SCHEMBL8596112 0.73 CXCR2 (0.44) CXCR2
SCHEMBL8082261 0.72 ALDH1A1 (0.33) SPR
SCHEMBL8166460 0.72 HPD (0.33) HPD
SCHEMBL7561013 0.70 HPD (0.33) SPRHPD
SCHEMBL7813931 0.69 CXCR2 (0.43) CXCR2

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-6054414-A HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed
EP-0847394-A1 2-CYCLOHEXANE-1,3-DIONE BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1998-06-17 EP disclosed
WO-1997009324-A1 2-CYCLOHEXANE-1,3-DIONE BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1997-03-13 WO disclosed