SCHEMBL7325161

SCHEMBL7325161

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC(=O)O)C1CCCCCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.54
CTSL P07711 4/20 0.54
CTSB P07858 4/20 0.54
CTSS P25774 3/20 0.54
ELANE P08246 3/20 0.49
CCR1 P32246 1/20 0.48
CASP3 P42574 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
CASP6 P55212 1/20 0.47
CASP8 Q14790 1/20 0.47
CAPN1 P07384 2/20 0.46

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
SCHEMBL7330509 0.99 CTSK (0.55) CTSKCTSLCTSBCTSSELANE
SCHEMBL7332393 0.90 ELANE (0.56) CTSKCTSLCTSBCTSSELANE
SCHEMBL10658214 0.89 CTSK (0.53) CTSKCTSLCTSBCTSSCASP1
SCHEMBL7331321 0.89 ELANE (0.56) CTSKCTSLCTSBCTSSELANE
SCHEMBL7813102 0.89 CTSK (0.53) CTSKCTSLCTSBCTSSELANE
SCHEMBL7810119 0.89 CTSK (0.53) CTSKCTSLCTSBCTSSELANE
SCHEMBL10790451 0.88 CTSK (0.54) CTSKCTSLCTSBCTSS
SCHEMBL7325702 0.88 ELANE (0.61) CTSKCTSLCTSBCTSSELANE
SCHEMBL7808006 0.88 CTSK (0.54) CTSKCTSLCTSBCTSSELANE
SCHEMBL7809206 0.88 CTSK (0.54) CTSKCTSLCTSBCTSSELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5221665-A N-substituted amides BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1993-06-22 US disclosed
EP-0369391-A2 N-substituted amides BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1990-05-23 EP disclosed