SCHEMBL6620125

SCHEMBL6620125

C=C(C)CC(C(=O)O)c1cccc(-c2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.54
CTSK P43235 2/20 0.54
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
KAT6A Q92794 1/20 0.40
FFAR1 O14842 1/20 0.40
CTSA P10619 5/20 0.39
CNR1 P21554 1/20 0.39
F10 P00742 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
CYP2A6 P11509 1/20 0.36

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
SCHEMBL4129755 0.84 CTSL (0.47) CTSLCTSKMEN1KMT2ACTSS
SCHEMBL6619802 0.82 CTSK (0.72) CTSLCTSKCTSBCTSSKAT6A
SCHEMBL6620554 0.78 CTSL (0.56) CTSLCTSKMEN1KMT2AKAT6A
SCHEMBL4775169 0.78 CTSK (0.56) CTSLCTSKCTSBCTSS
SCHEMBL7377688 0.75 PTGS1 (0.61) MEN1KMT2AFFAR1
SCHEMBL20546345 0.74 KMT2A (0.52) CTSLCTSKKMT2ACTSBCTSS
SCHEMBL20546348 0.74 KMT2A (0.52) CTSLCTSKKMT2ACTSBCTSS
SCHEMBL7167580 0.74 PTGS2 (0.51) CTSKCTSSFFAR1PPARGMAPT
SCHEMBL6622519 0.72 CTSK (0.61) CTSLCTSKCTSBCTSSKAT6A
SCHEMBL27589462 0.72 KAT6A (0.48) CTSLCTSKCTSBCTSSKAT6A

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
EP-1067894-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 EP disclosed
US-6518267-B1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-02-11 US disclosed
EP-1067894-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-01-17 EP disclosed
WO-1999059526-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 WO disclosed