SCHEMBL8438185

SCHEMBL8438185

c1cc(SC2CCC2)ccc1OC1CCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.47
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
FURIN P09958 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HRH1 P35367 2/20 0.37
AR P10275 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
PTGIR P43119 1/20 0.35
ACACB O00763 3/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL20443245 0.91 MAOB (0.47) PARP10MAOAMAOBFURINSMN1; SMN2
SCHEMBL8442255 0.78 DDB1 (0.49) MAOAMAOBSMN1; SMN2ALDH1A1PTGIR
SCHEMBL3457580 0.78 PARP10 (0.47) PARP10FURINSMN1; SMN2ALDH1A1TSHR
SCHEMBL23295277 0.76 MAOA (0.65) MAOAMAOBSMN1; SMN2ALDH1A1AR
SCHEMBL18058688 0.76 SMN1; SMN2 (0.54) PARP10FURINSMN1; SMN2ALDH1A1TSHR
SCHEMBL943014 0.76 PARP10 (0.46) PARP10FURINSMN1; SMN2ALDH1A1TSHR
SCHEMBL8428152 0.74 MAOA (0.50) MAOAMAOBSMN1; SMN2ALDH1A1PTGIR
SCHEMBL2242868 0.74 PARP10 (0.55) PARP10FURINALDH1A1TSHRHRH1
SCHEMBL23323067 0.73 MAOA (0.53) MAOAMAOBSMN1; SMN2ALDH1A1PTGIR
SCHEMBL10187265 0.73 PARP10 (0.60) PARP10MAOAFURINALDH1A1TSHR

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-0966438-A1 N-HYDROXY-BETA-SULFONYL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES PFIZER INC. (US) 1999-12-29 EP disclosed
WO-1998034915-A1 N-HYDROXY-BETA-SULFONYL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES PFIZER INC. (US) 1998-08-13 WO disclosed