SCHEMBL9738857

SCHEMBL9738857

CC1CC(=O)C(C(=O)c2ccc(OS(C)(=O)=O)cc2Cl)C(=O)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.35
MMP7 P09237 2/20 0.35
MMP9 P14780 2/20 0.35
MMP14 P50281 2/20 0.35
MMP1 P03956 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALDH1A1 P00352 2/20 0.35
FLT1 P17948 2/20 0.34
FLT4 P35916 2/20 0.34
KDR P35968 2/20 0.34
PPARA Q07869 1/20 0.34
SPR P35270 1/20 0.34
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 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
SCHEMBL9134108 0.81 LMNA (0.44) ALDH1A1GAA
SCHEMBL8697053 0.80 ENPP3 (0.35) MMP2MMP7MMP9MMP14MMP1
SCHEMBL10589667 0.79 MAPT (0.34) ALPLALPIALDH1A1FLT1FLT4
SCHEMBL9325335 0.74 ALDH1A1 (0.47) ALPLALPIALDH1A1FLT1FLT4
SCHEMBL8700100 0.74 TSHR (0.50) ALPLALPIALDH1A1FLT1FLT4
SCHEMBL10191441 0.73 CES2 (0.44) ALDH1A1
SCHEMBL10192440 0.71 MAPK1 (0.46) ALDH1A1FLT1FLT4KDRKDM4E
SCHEMBL9323642 0.69 ENPP3 (0.41) MMP2MMP7MMP9MMP14MMP1
SCHEMBL1860425 0.69 HPD (0.58) ENPP3ENPP1
SCHEMBL30177033 0.69 HPD (0.58) ENPP3ENPP1

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-5089046-A Herbicides or miticide SANDOZ LTD. (CH) 1992-02-18 US disclosed
EP-0336898-A2 Substituted aryl or heteroaryl diones SANDOZ AG (CH) 1989-10-11 EP disclosed