SCHEMBL28516145

SCHEMBL28516145

COc1cc(C)c(S(=O)(=O)N(C(=O)OCc2ccccc2)[C@@H](CCCNC(=N)N)C(=O)O)c(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 7/20 0.45
BMP1 P13497 2/20 0.42
MMP8 P22894 2/20 0.42
F2 P00734 1/20 0.41
FOLH1 Q04609 2/20 0.38
AVPR1A P37288 4/20 0.36
PLG P00747 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL28516147 1.00 AVPR1B (0.45) AVPR1BBMP1MMP8F2FOLH1
SCHEMBL28514278 0.86 AVPR1B (0.39) AVPR1BBMP1MMP8F2AVPR1A
SCHEMBL28860152 0.86 AVPR1B (0.39) AVPR1BBMP1MMP8F2AVPR1A
SCHEMBL28860154 0.86 AVPR1B (0.39) AVPR1BBMP1MMP8F2AVPR1A
SCHEMBL28514281 0.86 BMP1 (0.37) AVPR1BBMP1MMP8F2AVPR1A
SCHEMBL5490998 0.78 AVPR1B (0.35) AVPR1BBMP1MMP8F2AVPR1A
SCHEMBL8526902 0.77 BMP1 (0.41) AVPR1BBMP1MMP8F2AVPR1A
SCHEMBL30350537 0.75 FOLH1 (0.56) FOLH1
SCHEMBL2030161 0.75 FOLH1 (0.47) FOLH1
SCHEMBL2030163 0.75 FOLH1 (0.47) FOLH1

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
CN-112110834-A Modified hydrophobic auxiliary material and preparation method and application thereof 浙江智达药业有限公司 2020-12-22 CN claimed
CN-112110834-A Modified hydrophobic auxiliary material and preparation method and application thereof 浙江智达药业有限公司 2020-12-22 CN disclosed