SCHEMBL20404231

SCHEMBL20404231

c1ccc(COC2CCC[C@@H]3O[C@H]23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
CTSK P43235 2/20 0.45
CTSV O60911 1/20 0.45
CTSS P25774 1/20 0.45
CTSC P53634 1/20 0.45
CTSF Q9UBX1 1/20 0.45
PSEN1 P49768 3/20 0.43
PSEN2 P49810 3/20 0.43
APH1B Q8WW43 3/20 0.43
NCSTN Q92542 3/20 0.43
APH1A Q96BI3 3/20 0.43
PSENEN Q9NZ42 3/20 0.43
BCHE P06276 2/20 0.39
KCNA5 P22460 1/20 0.39
TACR1 P25103 2/20 0.39
PDE4D Q08499 1/20 0.39
ACHE P22303 1/20 0.38
KLK7 P49862 1/20 0.37
KLK5 Q9Y337 1/20 0.37

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
SCHEMBL16194624 1.00 CTSL (0.45) CTSLCTSBCTSKCTSVCTSS
SCHEMBL17079965 1.00 CTSL (0.45) CTSLCTSBCTSKCTSVCTSS
SCHEMBL16195504 1.00 CTSL (0.45) CTSLCTSBCTSKCTSVCTSS
SCHEMBL10303684 1.00 CTSL (0.45) CTSLCTSBCTSKCTSVCTSS
SCHEMBL7201040 1.00 CTSL (0.45) CTSLCTSBCTSKCTSVCTSS
SCHEMBL17079964 1.00 CTSL (0.45) CTSLCTSBCTSKCTSVCTSS
SCHEMBL17086951 1.00 CTSL (0.45) CTSLCTSBCTSKCTSVCTSS
SCHEMBL18384827 1.00 CTSL (0.45) CTSLCTSBCTSKCTSVCTSS
SCHEMBL16195226 1.00 CTSL (0.45) CTSLCTSBCTSKCTSVCTSS
SCHEMBL19985774 1.00 CTSL (0.45) CTSLCTSBCTSKCTSVCTSS

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
EP-3427738-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2021-12-01 EP disclosed
EP-3427738-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2019-01-16 EP disclosed
EP-3141252-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2018-07-25 EP disclosed