Alanine

Alanine

SCHEMBL5482606

CC(C)[C@H](N)C(=O)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1.C[C@H](N)C(=O)O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.59
ITGA2B P08514 14/20 0.59
CTSL P07711 3/20 0.50
CTSB P07858 3/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
ITGAV P06756 1/20 0.50
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49

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 SCHEMBL5482608 0.87 ITGB3 (0.56) ITGB3ITGA2BCTSLCTSBCTSS
Valine SCHEMBL5917274 0.87 ITGB3 (0.59) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL6372257 0.83 ITGB3 (0.61) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL11747900 0.82 ITGB3 (0.65) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL9157537 0.82 ITGB3 (0.65) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL9636970 0.82 ITGB3 (0.65) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL7688895 0.82 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL7044299 0.81 ATM (0.67) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL9716776 0.81 ATM (0.67) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL7039089 0.81 ATM (0.67) 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