SCHEMBL28006830

SCHEMBL28006830

O=C(NN1CCOCC1)C(Cc1ccccc1)C[SH](=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.48
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42
LIPE Q05469 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSS P25774 2/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
FKBP1A P62942 1/20 0.40
TACR2 P21452 2/20 0.40
CYP1A2 P05177 1/20 0.40
CPA3 P15088 1/20 0.39
FOLH1 Q04609 1/20 0.39
CCNA2 P20248 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
SCHEMBL2680002 0.85 CPA3 (0.55) MMP8MEN1ALDH1A1KMT2ACPA3
SCHEMBL7370831 0.80 CYP1A2 (0.52) MMP8CDK5CDK5R1LIPEMEN1
SCHEMBL7288147 0.78 CPA1 (0.53) MMP8MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7287463 0.78 MMP8 (0.51) MMP8CDK5CDK5R1LIPEMEN1
SCHEMBL27563062 0.77 MMP8 (0.50) MMP8CDK5CDK5R1LIPEMEN1
SCHEMBL27563063 0.77 MMP8 (0.50) MMP8CDK5CDK5R1LIPEMEN1
SCHEMBL27997607 0.76 MMP8 (0.42) MMP8LIPEMEN1ALDH1A1KMT2A
SCHEMBL27923292 0.76 MMP8 (0.49) MMP8CDK5CDK5R1LIPEMEN1
SCHEMBL27773554 0.76 MMP8 (0.49) MMP8CDK5CDK5R1LIPEMEN1
SCHEMBL7536026 0.75 MMP8 (0.45) MMP8CDK5CDK5R1LIPEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105992763-A Neprilysin inhibitors 施万生物制药研发IP有限责任公司 2016-10-05 CN disclosed
CN-105960398-A 5-biphenyl-4-heteroarylcarbonylamino-pentanoic acid derivatives as neprilysin inhibitors 施万生物制药研发IP有限责任公司 2016-09-21 CN disclosed
CN-105026374-A Neprilysin inhibitors THERAVANCE INC 2015-11-04 CN disclosed
CN-104520277-A Enkephalinase inhibitors THERAVANCE INC 2015-04-15 CN disclosed