SCHEMBL13992152

SCHEMBL13992152

Cc1cc(CCC(=O)O)c(C)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.57
SLC6A3 Q01959 1/20 0.51
ALOX5 P09917 1/20 0.49
RAB9A P51151 1/20 0.45
PTGER4 P35408 1/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
APEX1 P27695 2/20 0.40
ALDH1A1 P00352 3/20 0.39
DDAH1 O94760 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL13992151 0.89 ALOX5 (0.46) NPSR1SLC6A3ALOX5RAB9APTGER4
SCHEMBL17468787 0.72 ALOX5 (0.51) ALOX5RAB9AMAPTKDM4EPOLB
SCHEMBL3406206 0.72 NPSR1 (0.46) NPSR1SLC6A3PTGER4MAPTKDM4E
SCHEMBL13992157 0.71 ALOX5 (0.46) NPSR1ALOX5RAB9APTGER4MAPT
SCHEMBL9566160 0.71 ALOX5 (0.50) ALOX5RAB9AMAPTKDM4EPOLB
SCHEMBL657541 0.70
SCHEMBL3100001 0.70
SCHEMBL3906087 0.70 FFAR1 (0.58) NPSR1PTGER4KDM4EALDH1A1DDAH1
SCHEMBL10937131 0.69 NPSR1 (0.91) NPSR1SLC6A3PTGER4POLBL3MBTL1
SCHEMBL8342204 0.69 NPSR1 (0.52) NPSR1SLC6A3ALOX5MAPTKDM4E

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-20150192555-A1 Methods and Devices for Analytical Sensing of Biogenic Amines UNIVERSITY OF SOUTH CAROLINA 2015-07-09 US disclosed
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