SCHEMBL11136152

SCHEMBL11136152

CC(=O)NCCCCCC(O)c1ccc(CCC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.50
FOLH1 Q04609 1/20 0.45
ALB P02768 3/20 0.44
KDM4E B2RXH2 2/20 0.43
F13A1 P00488 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
LTB4R Q15722 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.41
FFAR1 O14842 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL11135725 0.80 S1PR2 (0.47) LTB4RFFAR1
SCHEMBL11133594 0.79 CPB2 (0.50) LMNAFFAR1
SCHEMBL11131232 0.78 ADRA1A (0.57) ADRA1AKDM4EF13A1MAPK1HIF1A
SCHEMBL11135739 0.78 ADRA1A (0.57) ADRA1AKDM4EF13A1MAPK1HIF1A
SCHEMBL11471927 0.78 KDM4E (0.68) KDM4EF13A1HIF1ALMNAHPGD
SCHEMBL13670627 0.78 MTNR1A (0.54) FOLH1KDM4EMTNR1AMTNR1BMAPK1
SCHEMBL11134031 0.77 CPB2 (0.48) FFAR1
SCHEMBL25496786 0.75 MTNR1A (0.67) KDM4EMTNR1AMTNR1BMAPK1HIF1A
SCHEMBL8103817 0.75 MTNR1A (0.67) KDM4EMTNR1AMTNR1BMAPK1HIF1A
SCHEMBL9453929 0.74 CYSLTR2 (0.61) LTB4RFFAR1

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
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
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