SCHEMBL5067741

SCHEMBL5067741

NCCC(=O)CCC(=O)CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GABRR1 P24046 2/20 0.38
LMNA P02545 3/20 0.33
THRB P10828 2/20 0.33
BLM P54132 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GABRR3 A8MPY1 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
HDAC3 O15379 1/20 0.33
GABBR2 O75899 1/20 0.33
CYP1A2 P05177 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRR2 P28476 1/20 0.33
SLC6A1 P30531 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
SCHEMBL251587 1.00 TSHR (0.39) TSHRALDH1A1GABRR1LMNATHRB
SCHEMBL1424261 0.97
SCHEMBL6697349 0.87 GABRR1 (0.45) TSHRALDH1A1GABRR1LMNATHRB
SCHEMBL4705539 0.87 GABRR1 (0.45) TSHRALDH1A1GABRR1LMNATHRB
SCHEMBL4202343 0.84 ACE (0.38) TSHRALDH1A1GABRR1LMNABLM
SCHEMBL1640046 0.84
SCHEMBL9184383 0.83 CAMK2A (0.43) TSHRALDH1A1GABRR1LMNATHRB
Hydrochloric Acid SCHEMBL2708490 0.81 BLM (0.43) TSHRALDH1A1GABRR1LMNATHRB
SCHEMBL483277 0.80
SCHEMBL16029966 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311083-A1 Methods of Modulating Beta Cell Function JOSLIN DIABETES CENTER, INC. (US) 2008-12-18 US disclosed
US-7256176-B2 Methods of modulating β cell function JOSLIN DIABETES CENTER, INC. (US) 2007-08-14 US disclosed
US-20060293246-A1 Methods of modulating beta cell function JOSLIN DIABETES CENTER, INC. 2006-12-28 US disclosed