SCHEMBL7439853

SCHEMBL7439853

CCOC(=O)CC[C@H](O)[C@H](Cc1ccc(F)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.48
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
REN P00797 2/20 0.42
CTSD P07339 1/20 0.42
PSEN1 P49768 3/20 0.41
PSEN2 P49810 3/20 0.41
APH1B Q8WW43 3/20 0.41
NCSTN Q92542 3/20 0.41
APH1A Q96BI3 3/20 0.41
PSENEN Q9NZ42 3/20 0.41
TSHR P16473 1/20 0.40
PTPRB P23467 1/20 0.40
APP P05067 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
SCHEMBL8892623 1.00 KLK5 (0.48) KLK5CTSSCTSKRENCTSD
SCHEMBL7435516 0.89 KLK5 (0.60) KLK5CTSSCTSKRENCTSD
SCHEMBL7638374 0.89 KLK5 (0.60) KLK5CTSSCTSKRENCTSD
SCHEMBL7638333 0.83 PTPN1 (0.52) KLK5RENCTSDPSEN1PSEN2
SCHEMBL7638338 0.83 PTPN1 (0.52) KLK5RENCTSDPSEN1PSEN2
SCHEMBL1401046 0.83 CTSK (0.46) CTSSCTSKTSHRPTPRB
SCHEMBL1401049 0.83 CTSK (0.46) CTSSCTSKTSHRPTPRB
SCHEMBL28034674 0.81 CTSS (0.54) KLK5CTSSCTSKPSEN1PSEN2
SCHEMBL8265825 0.78 KLK5 (0.52) KLK5CTSD
SCHEMBL8266498 0.78 KLK5 (0.52) KLK5CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
WO-1996016980-A1 MORPHOLINOETHYLAMIDE DERIVATIVES NOVARTIS AG (CH) 1996-06-06 WO disclosed
EP-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed