SCHEMBL8580939

SCHEMBL8580939

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.43
F2 P00734 6/20 0.43
F10 P00742 3/20 0.42
PLAU P00749 2/20 0.42
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
STS P08842 1/20 0.40
TGFBR1 P36897 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8580938 0.81 ACACB (0.48) ACACBF2F10PLAUMMP1
SCHEMBL13538761 0.77 ACACB (0.64) ACACBF2F10TGFBR1ALDH1A1
SCHEMBL10194537 0.73 SFRP1 (0.53) ACACBSTSTGFBR1ALDH1A1
SCHEMBL10194504 0.71 ACACB (0.59) ACACBF10TGFBR1
SCHEMBL10194548 0.71 SFRP1 (0.56) ACACBSTSTGFBR1ALDH1A1
SCHEMBL10194498 0.71 ADAM17 (0.51) ACACBF10STSTGFBR1
SCHEMBL10194489 0.71 ACACB (0.71) ACACBTGFBR1
SCHEMBL2333096 0.70 STS (0.45) ACACBSTSALDH1A1
SCHEMBL8577423 0.70 ACACB (0.41) ACACBF2F10PLAUTGFBR1
SCHEMBL7299431 0.69 F2 (0.62) F2

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