SCHEMBL4897761

SCHEMBL4897761

C=C(C)C(=O)NCCCc1c(O)cccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NLRP1 Q9C000 1/20 0.45
ALOX5 P09917 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
NAAA Q02083 1/20 0.39
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL289432 0.76 KAT8 (0.50) HPGDALDH1A1HSD17B10HTTMAPT
SCHEMBL4473539 0.75 KAT8 (0.56) ALDH1A1HSD17B10HTTMAPTKMT2A
SCHEMBL4897757 0.75 G6PD (0.42) HPGDALDH1A1SMN1; SMN2KDM4ECA12
SCHEMBL2821516 0.74 KAT8 (0.59) ALDH1A1HSD17B10HTTMAPTKMT2A
SCHEMBL5273325 0.74 KAT8 (0.59) ALDH1A1HSD17B10HTTMAPTKMT2A
SCHEMBL5272268 0.74 KAT8 (0.59) ALDH1A1HSD17B10HTTMAPTKMT2A
SCHEMBL6434109 0.74 KAT8 (0.59) ALDH1A1HSD17B10HTTMAPTKMT2A
SCHEMBL6435534 0.74 KAT8 (0.59) ALDH1A1HSD17B10HTTMAPTKMT2A
SCHEMBL28182972 0.74 KAT8 (0.55) ALDH1A1HSD17B10HTTMAPTKMT2A
SCHEMBL5271556 0.74 KAT8 (0.59) ALDH1A1HSD17B10HTTMAPTKMT2A

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
US-20080193377-A1 Radiolabeled Nanohybrids Targeting Solid Tumor Neovasculature and Method of Using Same UNIVERSITY OF MARYLAND, BALTIMORE 2008-08-14 US disclosed
EP-1768706-A2 RADIOLABELED NANOHYBRIDS TARGETING SOLID TUMOR NEOVASCULATURE AND METHOD OF USING SAME University of Maryland, Baltimore (US) 2007-04-04 EP disclosed
WO-2006012355-A2 RADIOLABELED NANOHYBRIDS TARGETING SOLID TUMOR NEOVASCULATURE AND METHOD OF USING SAME UNIVERSITY OF MARYLAND, BALTIMORE (US) 2006-02-02 WO disclosed