SCHEMBL8580938

SCHEMBL8580938

COC(=O)C(CNS(=O)(=O)c1ccc2ccccc2c1)(C(N)=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.48
F2 P00734 2/20 0.46
TGFBR1 P36897 8/20 0.43
F10 P00742 2/20 0.43
PLAU P00749 2/20 0.42
BCHE P06276 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL8580939 0.81 ACACB (0.43) ACACBF2TGFBR1F10PLAU
SCHEMBL13538761 0.81 ACACB (0.64) ACACBF2TGFBR1F10BCHE
SCHEMBL8577423 0.76 ACACB (0.41) ACACBF2TGFBR1F10PLAU
SCHEMBL10194504 0.76 ACACB (0.59) ACACBTGFBR1F10BCHE
SCHEMBL10194489 0.75 ACACB (0.71) ACACBTGFBR1BCHE
SCHEMBL10194537 0.74 SFRP1 (0.53) ACACBTGFBR1ALDH1A1
SCHEMBL10194548 0.72 SFRP1 (0.56) ACACBTGFBR1ALDH1A1
SCHEMBL10194498 0.71 ADAM17 (0.51) ACACBTGFBR1F10
SCHEMBL1618500 0.71 MMP1 (0.56) ALDH1A1MMP1MMP9MMP13
SCHEMBL2333096 0.71 STS (0.45) ACACBALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763436-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed