SCHEMBL6897731

SCHEMBL6897731

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.60
CTSS P25774 3/20 0.60
CTSL P07711 2/20 0.60
CTSB P07858 1/20 0.60
CAPN1 P07384 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
AAK1 Q2M2I8 1/20 0.47
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2D6 P10635 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL27844706 0.92 CTSK (0.53) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL21675512 0.91 CTSK (0.61) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL28074201 0.91 CTSK (0.55) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL28195122 0.91 CTSK (0.55) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL55833 0.90 CTSL (0.60) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL55832 0.90 CTSL (0.60) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL56907 0.90 CTSL (0.60) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL17706118 0.88 CTSK (0.52) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL9451172 0.88 CTSK (0.52) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL9596442 0.87 CYP1A2 (0.59) CTSKCTSSCTSLCTSBCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0830136-B1 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIV HAWAII (US) 2004-10-20 EP disclosed
EP-0830136-A4 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIV HAWAII (US) 2001-01-24 EP disclosed
EP-0830136-A1 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIVERSITY OF HAWAII (US) 1998-03-25 EP disclosed
WO-1996040184-A1 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIVERSITY OF HAWAII (US) 1996-12-19 WO disclosed
US-5171837-A Treatment of autoimmune diseases KURARAY CO., LTD. (JP) 1992-12-15 US disclosed
US-5132402-A Immobilized peptide which binds to human antibody to nicotinic acetylcholine receptor AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1992-07-21 US disclosed
EP-0426857-A1 PEPTIDE AND ADSORBENT COMPRISING SAME IMMOBILIZED ON CARRIER KURARAY CO., LTD. (JP) 1991-05-15 EP disclosed
US-4889917-A TREATMENT OF MYASTHENIA GRAVIS AGENCY OF INDUSTRIAL SCIENCE TECHNOLOGY, MINISTRY OF INTERNATIONAL TRADE & INDUSTRY (JP) 1989-12-26 US disclosed
US-4732970-A Antitumor amino acid and peptide derivatives of 1,4-bis(aminoalkyl and hydroxy-aminoalkyl)amino)-5,8-dihydroxyanthraquinones AMERICAN CYANAMID COMPANY (US) 1988-03-22 US disclosed