SCHEMBL8892749

SCHEMBL8892749

O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)NC(=O)N1CCOCC1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.55
CTSB P07858 5/20 0.55
CTSS P25774 5/20 0.55
TGM2 P21980 1/20 0.53
TACR1 P25103 2/20 0.52
CTSL P07711 5/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL7391841 0.96 CTSK (0.56) CTSKCTSBCTSSTACR1CTSL
SCHEMBL8893516 0.91 CASP3 (0.51) CTSKCTSBCTSSTGM2CTSL
SCHEMBL7388307 0.87 CTSK (0.51) CTSKCTSBCTSSCTSL
SCHEMBL11780134 0.85 ITGB3 (0.53) CTSKCTSBCTSSCTSL
SCHEMBL7432162 0.84 CTSB (0.52) CTSKCTSBCTSSCTSLMEN1
SCHEMBL27325266 0.80 POLB (0.61) CTSBCTSSCTSLMEN1KMT2A
SCHEMBL7266820 0.80 POLB (0.61) CTSBCTSSCTSLMEN1KMT2A
SCHEMBL7438999 0.79 CTSS (0.55) CTSKCTSBCTSSCTSLMEN1
SCHEMBL11778255 0.79 TACR1 (0.74) CTSKCTSBCTSSTGM2TACR1
SCHEMBL8895231 0.78 CTSS (0.55) CTSKCTSBCTSSCTSL

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
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed
US-3954731-A Process for preparing 6-alkoxypenicillanic and 7-alkoxycephalosporin acids ELI LILLY AND COMPANY (US) 1976-05-04 US disclosed