Beta-Alanine

Beta-Alanine

SCHEMBL7004982

CC1(C)CCCC(C)(C)N1.CC1(C)CCCC(C)(C)N1.CCC(=O)O.NCCC(=O)O

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.34
LMNA P02545 3/20 0.34
BLM P54132 3/20 0.34
CYP1A2 P05177 2/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
CACNA2D1 P54289 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
GABRR3 A8MPY1 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABBR2 O75899 1/20 0.33

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
Beta-Alanine SCHEMBL2944938 1.00 FFAR3 (0.34) FFAR3LMNABLMCYP1A2TSHR
Beta-Alanine SCHEMBL27842605 0.95 LMNA (0.37) FFAR3LMNABLMCYP1A2TSHR
Succinic Acid SCHEMBL28499250 0.83 EGLN1 (0.41) FFAR3LMNACYP1A2ALDH1A1HDAC3
Succinic Acid SCHEMBL2342959 0.83 EGLN1 (0.41) FFAR3LMNACYP1A2ALDH1A1HDAC3
Adipic Acid SCHEMBL27539142 0.80 LMNA (0.46) LMNATSHRALDH1A1KMT2AHDAC11
Adipic Acid SCHEMBL6543544 0.80 LMNA (0.46) LMNATSHRALDH1A1KMT2AHDAC11
Alanine SCHEMBL15951690 0.79 FFAR3 (0.34) FFAR3LMNABLMCYP1A2TSHR
Sebacic Acid SCHEMBL2344968 0.78 TSHR (0.48) LMNATSHRALDH1A1KMT2AHDAC11
Sebacic Acid SCHEMBL8067661 0.78 TSHR (0.48) LMNATSHRALDH1A1KMT2AHDAC11
Beta-Alanine SCHEMBL8655760 0.77 FFAR3 (0.59) FFAR3LMNABLMCYP1A2TSHR

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
EP-1268633-A1 STABILIZING MIXTURES FOR ORGANIC POLYMERS Great Lakes Chemical (Europe) GmbH (CH) 2003-01-02 EP disclosed
WO-2001070868-A1 STABLILIZING MIXTURES FOR ORGANIC POLYMERS GREAT LAKES CHEMICAL (EUROPE) GMBH (CH) 2001-09-27 WO disclosed