SCHEMBL5547252

SCHEMBL5547252

NC(=O)OCCCC(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
LMNA P02545 2/20 0.42
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
HTR1A P08908 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRNA7 P36544 1/20 0.41
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3094407 0.85
SCHEMBL14876888 0.81 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL11591447 0.80 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL222547 0.79 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL2746597 0.79 TSHR (0.52) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL2745809 0.79 LMNA (0.52) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL11589386 0.78 TDP1 (0.31) TSHRALDH1A1
SCHEMBL23933222 0.77 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL10454204 0.77 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL28682097 0.77 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250480-B2 Acrylic composition and a curable coating composition including the same BASF CORPORATION (US) 2007-07-31 US disclosed
WO-2006101544-A1 AN ACRYLIC COMPOSITION AND A CURABLE COATING COMPOSITION INCLUDING THE SAME BASF CORPORATION (US) 2006-09-28 WO disclosed
US-20050197451-A1 Acrylic composition and a curable coating composition including the same BASF CORPORATION (US) 2005-09-08 US disclosed
US-20040006185-A1 Carbamate-functional polymer, curable coating composition thereof, and method of preparing the polymer BASF CORPORATION 2004-01-08 US disclosed
WO-2004003051-A1 CARBAMATE-FUNCTIONAL POLYMER, CURABLE COATING COMPOSITION THEREOF, ANDMETHOD OF PREPARING THE POLYMER BASF CORPORATION GENERAL COUNSEL (US) 2004-01-08 WO disclosed