SCHEMBL14035537

SCHEMBL14035537

O=C(NCCN(CCNC(=O)c1ccccc1O)CCNC(=O)c1ccccc1O)c1ccccc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.59
HPGD P15428 3/20 0.59
ALDH1A1 P00352 2/20 0.59
NPC1 O15118 2/20 0.59
HSD17B10 Q99714 2/20 0.59
TSHR P16473 2/20 0.59
NAAA Q02083 1/20 0.59
MAPT P10636 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NLRP1 Q9C000 1/20 0.59
KDM4E B2RXH2 3/20 0.56
GAA P10253 2/20 0.53
MPO P05164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HIF1A Q16665 1/20 0.53
ALOX5 P09917 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.52
ESRRG P62508 1/20 0.52

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
Salethamide SCHEMBL588724 0.90 ALDH1A1 (0.71) HTTHPGDALDH1A1NPC1HSD17B10
Salethamide SCHEMBL11573255 0.89 ALDH1A1 (0.69) HTTHPGDALDH1A1NPC1HSD17B10
Trencam SCHEMBL5676227 0.88 ALOX5 (0.70) HTTHPGDALDH1A1NPC1HSD17B10
SCHEMBL14868417 0.87 NAAA (0.58) HTTHPGDALDH1A1NPC1HSD17B10
SCHEMBL5707054 0.87 HTT (0.69) HTTHPGDALDH1A1NPC1HSD17B10
SCHEMBL31119120 0.87 HTT (0.69) HTTHPGDALDH1A1NPC1HSD17B10
SCHEMBL31119121 0.87 HTT (0.69) HTTHPGDALDH1A1NPC1HSD17B10
SCHEMBL8639778 0.86 NAAA (0.60) HTTHPGDALDH1A1NPC1HSD17B10
Trencam SCHEMBL5675230 0.86 ALOX5 (0.68) HTTHPGDALDH1A1NPC1HSD17B10
Trencam SCHEMBL5679535 0.86 ALOX5 (0.68) HTTHPGDALDH1A1NPC1HSD17B10

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
US-20080293155-A1 SALICYLAMIDE-LANTHANIDE COMPLEXES FOR USE AS LUMINESCENT MARKERS THE REGENTS OF THE UNIVERISTY OF CALIFORNIA (US) 2008-11-27 US disclosed
US-7404912-B2 Salicylamide-lanthanide complexes for use as luminescent markers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-07-29 US disclosed