SCHEMBL11136997

SCHEMBL11136997

NCc1ccc(Cc2ccc(CCCCCC(=O)O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
HDAC3 O15379 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC4 P56524 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
LTB4R Q15722 4/20 0.49
HSD17B10 Q99714 1/20 0.49
TBXAS1 P24557 6/20 0.47

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
SCHEMBL11135638 0.98 MAPT (0.59) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL27367712 0.95 MAPT (0.69) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL11135313 0.93 SMN1; SMN2 (0.60) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL11010845 0.93 MAPT (0.66) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL7825139 0.89 MAPT (0.70) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL11007974 0.87 SMN1; SMN2 (0.67) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL11139381 0.87 MAPT (0.59) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL7045419 0.86 MAPT (0.85) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL11131388 0.85 FFAR1 (0.59) TBXAS1FFAR1PLA2G10PLA2G2A
SCHEMBL9671779 0.85 MAPT (0.83) MAPTRXFP1HDAC3MAPK1ADRA1A

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
EP-0044541-B1 AMINOCARBOXYLIC ACIDS, AMINO ALCOHOLS, OR THE DERIVATIVES THEREOF, PROCESSES FOR PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION, CONTAINING AT LEAST ONE OF THESE COMPOUNDS TEIJIN LIMITED (JP) 1983-09-21 EP disclosed
US-4402975-A ANTIULCER AGENTS TEIJIN LIMITED (JP) 1983-09-06 US disclosed
EP-0044541-A1 Aminocarboxylic acids, amino alcohols, or the derivatives thereof, processes for production thereof, and pharmaceutical composition, containing at least one of these compounds TEIJIN LIMITED (JP) 1982-01-27 EP disclosed