SCHEMBL7529863

SCHEMBL7529863

CCCCN(C(=O)c1nc2ccccc2o1)C(=O)C1(NC(=O)c2ccc(CC(C)C)cc2)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 7/20 0.38
SPHK1 Q9NYA1 1/20 0.36
CTSK P43235 3/20 0.36
CTSL P07711 3/20 0.36
CTSB P07858 3/20 0.36
CTSS P25774 3/20 0.36
FAAH O00519 2/20 0.35
CES1 P23141 1/20 0.35
HSF1 Q00613 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL7535944 0.88 MAPT (0.42) CTSKCTSLCTSBCTSSFAAH
SCHEMBL7533002 0.88 FAAH (0.38) CTSKCTSLCTSSFAAHCES1
SCHEMBL7535316 0.87 CTSL (0.40) CTSKCTSLCTSBCTSSFAAH
SCHEMBL7530295 0.86 FAAH (0.35) CTSKCTSLCTSBCTSSFAAH
SCHEMBL7532248 0.84 CTSL (0.47) TACR2CTSKCTSLCTSBCTSS
SCHEMBL7536589 0.84 SMN1; SMN2 (0.41) CTSSFAAHCES1HSF1
SCHEMBL7531988 0.83 SLC6A5 (0.42) PPARG
SCHEMBL7531423 0.83 CTSL (0.39) TACR2CTSKCTSLCTSBCTSS
SCHEMBL7528565 0.82 SMN1; SMN2 (0.40) CTSKCTSLCTSBCTSSFAAH
SCHEMBL7530243 0.82 LMNA (0.40) CTSKCTSBCTSSFAAHCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO claimed