SCHEMBL3441243

SCHEMBL3441243

O=C(NCCCC[C@H](NC(=O)c1cccc(O)c1O)C(=O)O)c1cccc(O)c1O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.67
HDAC7 Q8WUI4 1/20 0.50
FOLH1 Q04609 10/20 0.47
NAAA Q02083 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NLRP1 Q9C000 1/20 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
SCHEMBL8487740 1.00 ALOX5 (0.67) ALOX5HDAC7FOLH1NAAANPC1
SCHEMBL7668122 0.96 ALOX5 (0.64) ALOX5HDAC7FOLH1NAAANPC1
SCHEMBL8488937 0.96 ALOX5 (0.64) ALOX5HDAC7FOLH1NAAANPC1
SCHEMBL18196585 0.95 ALOX5 (0.62) ALOX5HDAC7FOLH1NAAANPC1
SCHEMBL7669752 0.91 ALOX5 (0.59) ALOX5HDAC7FOLH1NAAANPC1
SCHEMBL8440962 0.91 ALOX5 (0.60) ALOX5HDAC7FOLH1NAAANPC1
SCHEMBL8487544 0.88 ALOX5 (0.70) ALOX5HDAC7NAAANPC1ALDH1A1
SCHEMBL8485248 0.86 ALOX5 (0.63) ALOX5HDAC7FOLH1NAAANPC1
SCHEMBL8484730 0.86 ALOX5 (0.63) ALOX5HDAC7FOLH1NAAANPC1
SCHEMBL8489421 0.85 ALOX5 (0.49) ALOX5FOLH1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227936-A1 Biofertilisation of non-Fabaceae field crops with the help of bacteria from the Azotobacteraceae family, which have an over-accumulation of molybdene Claude, Pierre-Philippe (FR) 2010-09-15 EP disclosed