SCHEMBL27997607

SCHEMBL27997607

CCCCSCC(Cc1ccccc1)C(=O)NN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.42
LIPE Q05469 1/20 0.39
CTSS P25774 1/20 0.39
LMNA P02545 2/20 0.39
ALOX12 P18054 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSH P09668 1/20 0.39
CTSK P43235 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7370831 0.82 CYP1A2 (0.52) MMP8LIPECTSSCTSLCTSB
SCHEMBL2680002 0.78 CPA3 (0.55) MMP8MEN1KMT2AMAPK1MAPT
SCHEMBL28006830 0.76 MMP8 (0.48) MMP8LIPECTSSCTSLCTSB
SCHEMBL27923292 0.75 MMP8 (0.49) MMP8LIPECTSSLMNACTSL
SCHEMBL27563063 0.73 MMP8 (0.50) MMP8LIPECTSSCTSLCTSB
SCHEMBL27563062 0.73 MMP8 (0.50) MMP8LIPECTSSCTSLCTSB
SCHEMBL7287463 0.72 MMP8 (0.51) MMP8LIPECTSSCTSLCTSB
SCHEMBL7288147 0.72 CPA1 (0.53) MMP8LMNAMEN1KMT2AALDH1A1
SCHEMBL9110135 0.71 CYP1A2 (0.53)
SCHEMBL9108793 0.71 CYP1A2 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103582630-B Enkephalinase inhibitor 施万生物制药研发IP有限责任公司 2016-08-17 CN disclosed
CN-103261168-B Enkephalinase inhibitor THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-08-05 CN disclosed
CN-104470521-A Neprilysin inhibitors THERAVANCE INC 2015-03-25 CN disclosed
CN-104350042-A Neprilysin inhibitors THERAVANCE BIOPHARMA R & D IP LLC 2015-02-11 CN disclosed
CN-104350052-A Nitric oxide donor neprilysin inhibitors THERAVANCE BIOPHARMA R & D IP LLC 2015-02-11 CN disclosed