Alanine

Alanine

SCHEMBL1679645

CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)O.C[C@H](N)C(=O)O

nearest known ligand 0.54

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
ALDH1A1 P00352 4/20 0.54
CNR2 P34972 7/20 0.52
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
KMT2A Q03164 1/20 0.51
PSMB8 P28062 1/20 0.50
PSMB5 P28074 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 2/20 0.49
CNR1 P21554 1/20 0.49
MBTPS1 Q14703 1/20 0.48
MAPT P10636 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
SCHEMBL4412847 0.94 POLB (0.59) POLBALDH1A1CNR2MEN1CYP1A2
SCHEMBL4412844 0.94 POLB (0.59) POLBALDH1A1CNR2MEN1CYP1A2
SCHEMBL10432164 0.94 POLB (0.59) POLBALDH1A1CNR2MEN1CYP1A2
SCHEMBL7361586 0.85 ALDH1A1 (0.67) POLBALDH1A1MEN1KMT2AHPGD
SCHEMBL5529039 0.84 POLB (0.56) POLBALDH1A1CNR2MEN1CYP1A2
SCHEMBL9832132 0.84 POLB (0.52) POLBALDH1A1CNR2MEN1CYP1A2
SCHEMBL9832138 0.84 POLB (0.52) POLBALDH1A1CNR2MEN1CYP1A2
SCHEMBL31186640 0.84 ALDH1A1 (0.56) POLBALDH1A1CNR2MEN1CYP1A2
SCHEMBL16114948 0.83 POLB (0.58) POLBALDH1A1CNR2MEN1CYP1A2
SCHEMBL10417010 0.83 POLB (0.58) POLBALDH1A1CNR2MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230364-A1 METHODS FOR IDENTIFYING MODULATORS OF APOPTOSIS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-22 US disclosed
US-7927816-B2 Methods for identifying modulators of apoptosis SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-04-19 US disclosed
US-20090075292-A1 METHODS FOR IDENTIFYING MODULATORS OF APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-03-19 US disclosed
US-7422862-B2 Methods for identifying modulators of apoptosis THE BURNHAM INSTITUTE (US) 2008-09-09 US disclosed
US-20030175819-A1 Methods for identifying modulators of apoptosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-09-18 US disclosed
WO-2003046205-A2 METHODS FOR IDENTIFYING MODULATORS OF APOPTOSIS THE BURNHAM INSTITUTE (US) 2003-06-05 WO disclosed