Valine

Valine

SCHEMBL5482608

CC(C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.56

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.56
ITGA2B P08514 8/20 0.56
CTSL P07711 4/20 0.55
CTSB P07858 4/20 0.55
CTSS P25774 2/20 0.55
CTSK P43235 2/20 0.55
ECE1 P42892 2/20 0.54
MME P08473 1/20 0.54
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
TACR1 P25103 2/20 0.50

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
Valine SCHEMBL5917274 0.93 ITGB3 (0.59) ITGB3ITGA2BCTSLCTSBCTSS
Alanine SCHEMBL5482606 0.87 ITGB3 (0.59) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL1702159 0.87 ECE1 (0.65) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL10507966 0.87 ECE1 (0.65) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL221300 0.87 ECE1 (0.65) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL6118298 0.87 ECE1 (0.65) ITGB3ITGA2BCTSLCTSBCTSS
Phenylalanine SCHEMBL9543648 0.86 ITGB3 (0.53) ITGB3ITGA2BCTSLCTSBCTSS
Hydrochloric Acid SCHEMBL11635370 0.86 ECE1 (0.64) ITGB3ITGA2BCTSLCTSBCTSS
Water SCHEMBL8165165 0.86 CTSL (0.66) ITGB3ITGA2BCTSLCTSBCTSS
Water SCHEMBL8394834 0.86 CTSL (0.66) ITGB3ITGA2BCTSLCTSBCTSS

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
US-7270801-B2 Fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. (US) 2007-09-18 US disclosed
EP-1026988-A4 NOVEL FLUORESCENT REPORTER MOLECULES AND THEIR APPLICATIONS INCLUDING ASSAYS FOR CASPASES CYTOVIA INC (US) 2005-03-30 EP disclosed
US-20040191844-A1 Novel fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. (US) 2004-09-30 US disclosed
US-6759207-B2 REPORTER COMPOUND FOR USE IN THE DIAGNOSIS, DETECTION AND TREATMENT OF CANCER CYTOVIA, INC. 2004-07-06 US disclosed
US-20020150885-A1 Novel fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. 2002-10-17 US disclosed
US-6342611-B1 BLOCKED RHODAMINE DERIVATIVES CYTOVIA, INC. 2002-01-29 US disclosed
US-6335429-B1 COMPOUND INCLUDING SUBSTRATE FOR ENZYME AND RHODAMINE DYE; DRUG SCREENING FOR ANTICARCINOGENIC AGENTS CYTOVIA, INC. 2002-01-01 US disclosed
EP-1026988-A1 NOVEL FLUORESCENT REPORTER MOLECULES AND THEIR APPLICATIONS INCLUDING ASSAYS FOR CASPASES Cytovia, Inc. (US) 2000-08-16 EP disclosed
WO-1999018856-A1 NOVEL FLUORESCENT REPORTER MOLECULES AND THEIR APPLICATIONS INCLUDING ASSAYS FOR CASPASES CYTOVIA, INC. (US) 1999-04-22 WO disclosed