SCHEMBL13992155

SCHEMBL13992155

Cc1cc(CCCC(=O)O)c(C)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 3/20 0.46
NPSR1 Q6W5P4 1/20 0.44
NSD2 O96028 1/20 0.40
ABL1 P00519 1/20 0.40
GAA P10253 1/20 0.40
IDE P14735 1/20 0.40
RIN1 Q13671 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
HDAC4 P56524 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL13992153 0.89 NPSR1 (0.57) NPSR1L3MBTL1SLC6A3HSD17B10EGFR
SCHEMBL15440614 0.71 MGLL (0.33) MAPK1
SCHEMBL3838212 0.69 NPSR1 (0.50) F13A1NPSR1GAAHDAC3MAPK1
SCHEMBL27529771 0.69 NPSR1 (0.55) F13A1NPSR1HDAC3MAPK1ADRA1A
SCHEMBL1454248 0.69 TSHR (0.56) F13A1NPSR1GAAL3MBTL1HDAC3
SCHEMBL9750766 0.69 NPSR1 (0.50) NPSR1L3MBTL1SLC6A3HSD17B10EGFR
SCHEMBL20095880 0.68 NPSR1 (0.49) F13A1NPSR1HDAC3MAPK1ADRA1A
SCHEMBL1454107 0.68 PTGER1 (0.49) F13A1NPSR1HDAC3MAPK1ADRA1A
SCHEMBL1006607 0.68 TSHR (0.58) F13A1NPSR1GAAHDAC3MAPK1
SCHEMBL11661108 0.68 LTB4R (0.52) F13A1NPSR1HDAC3MAPK1ADRA1A

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
US-8927293-B2 Methods and devices for analytical sensing of biogenic amines UNIVERSITY OF SOUTH CAROLINA (US) 2015-01-06 US disclosed
US-20080299669-A1 Methods and devices for analytical sensing of biogenic amines SOUTH CAROLINA, UNIVERSITY OF 2008-12-04 US disclosed