SCHEMBL13992153

SCHEMBL13992153

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.57
FLT1 P17948 1/20 0.45
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
APEX1 P27695 1/20 0.39
GPR17 Q13304 2/20 0.39
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EGFR P00533 2/20 0.38
SLC6A3 Q01959 1/20 0.38
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
CHRM1 P11229 1/20 0.37
PTGER1 P34995 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
SCHEMBL13992155 0.89 F13A1 (0.46) NPSR1FLT1L3MBTL1HSD17B10EGFR
SCHEMBL9750766 0.79 NPSR1 (0.50) NPSR1FLT1POLBL3MBTL1APEX1
SCHEMBL4963798 0.79 FLT1 (0.53) NPSR1FLT1POLBL3MBTL1GPR17
SCHEMBL5510031 0.73 NPSR1 (0.52) NPSR1FLT1APEX1GPR17HSD17B10
SCHEMBL9877930 0.71 TAAR1 (0.42) NPSR1APEX1HSD17B10CYP2C19
SCHEMBL10937131 0.69 NPSR1 (0.91) NPSR1POLBL3MBTL1SLC6A3NR1H4
SCHEMBL27588809 0.69 NPSR1 (0.52) NPSR1POLBL3MBTL1GPR17HPGD
SCHEMBL1171886 0.69 NPSR1 (0.52) NPSR1L3MBTL1GPR17EGFRHPGD
SCHEMBL151413 0.68 NPSR1 (0.61) NPSR1POLBL3MBTL1GPR17SLC6A3
SCHEMBL15354672 0.68 NPSR1 (0.73) NPSR1POLBL3MBTL1SLC6A3

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 4 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
CN-1422846-A Pyrrole derivative preparation method RES INST YANSHAN PETROCHEMICAL (CN) 2003-06-11 CN disclosed