SCHEMBL28045793

SCHEMBL28045793

CC(C)CC(NC(=O)OCc1ccccc1)C(=O)N(C(C=O)CC(C)C)C(CC(C)C)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.55
CTSS P25774 3/20 0.55
CTSL P07711 3/20 0.55
CTSB P07858 3/20 0.55
PSMB1 P20618 2/20 0.52
PSMB5 P28074 1/20 0.52
PSMB2 P49721 1/20 0.52
CASP1 P29466 1/20 0.48
CASP3 P42574 1/20 0.48
CASP7 P55210 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48

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
SCHEMBL17596884 1.00 CTSK (0.55) CTSKCTSSCTSLCTSBPSMB1
SCHEMBL160926 1.00 CTSK (0.55) CTSKCTSSCTSLCTSBPSMB1
SCHEMBL7268311 0.83 KDM1A (0.49) CTSKCTSSCTSLCTSBPSMB1
SCHEMBL7268357 0.82 KDM1A (0.48) CTSKCTSSCTSLCTSBPSMB1
SCHEMBL28288627 0.81 CTSK (0.56) CTSKCTSSCTSLCTSBPSMB1
SCHEMBL26910148 0.81 CTSK (0.56) CTSKCTSSCTSLCTSBPSMB1
SCHEMBL19400126 0.81 CTSK (0.56) CTSKCTSSCTSLCTSBPSMB1
SCHEMBL7160782 0.81 CTSK (0.63) CTSKCTSSCTSLCTSBPSMB1
SCHEMBL27511368 0.81 CTSK (0.63) CTSKCTSSCTSLCTSBPSMB1
SCHEMBL608854 0.79 CTSK (0.72) CTSKCTSSCTSLCTSBPSMB1

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
CN-109641947-A CD229 CAR T cell and its application method 犹他大学研究基金会 2019-04-16 CN disclosed
CN-102724975-B IRE-1 alpha inhibitors MANNKIND CORP. (US) 2015-12-02 CN disclosed