SCHEMBL671558

SCHEMBL671558

NCCS(=O)(=O)NCCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
BLM P54132 3/20 0.39
THRB P10828 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GABRR1 P24046 2/20 0.39
APEX1 P27695 1/20 0.39
GABRR3 A8MPY1 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
HDAC3 O15379 1/20 0.39
GABBR2 O75899 1/20 0.39
CYP1A2 P05177 1/20 0.39
GABRA1 P14867 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRR2 P28476 1/20 0.39
SLC6A1 P30531 1/20 0.39

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
Hydrochloric Acid SCHEMBL10700116 0.78 APEX1 (0.38) KMT2AAPEX1TSHRALDH1A1MEN1
SCHEMBL443901 0.77 RELA (0.40) LMNABLMKMT2ANPSR1APEX1
SCHEMBL6832063 0.76 AKR1B1 (0.45) KMT2ATSHRHDAC11ALDH1A1MEN1
SCHEMBL9266535 0.76 ALDH1A1 (0.44) LMNAKMT2AAPEX1HDAC3TSHR
SCHEMBL1408713 0.76 CYP2C19 (0.40) LMNABLMTSHRALDH1A1SLC6A6
SCHEMBL26212048 0.75 ALDH1A1 (0.38) APEX1GABRPGABRDCYP1A2GABRA1
SCHEMBL10895115 0.75 RELA (0.49) KMT2ATSHRHDAC11ALDH1A1MEN1
SCHEMBL29631557 0.74 LMNA (0.56) LMNABLMCYP2D6SLC6A6CYP2C19
SCHEMBL22489397 0.73 CA12 (0.41) RELACA1CA2CA12CA9
SCHEMBL26210415 0.73 ECE1 (0.38) KMT2ANPSR1APEX1GABRPGABRD

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
WO-2012024611-A1 METHODS OF TREATING SARCOPENIA AND FRAILTY NATURAL ALTERNATIVES INTERNATIONAL, INC. (US) 2012-02-23 WO disclosed
US-6071545-A NUTRITIOUS FOOD AND BEVERAGES VYREX CORPORATION (US) 2000-06-06 US disclosed