SCHEMBL4893549

SCHEMBL4893549

C=C(C)C(=O)NCC(=O)NCC(=O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.35
EGLN1 Q9GZT9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PLA2G2A P14555 1/20 0.30

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
SCHEMBL366720 0.84 EGLN1 (0.47) TGFBR1EGLN1KDM4EALDH1A1PLA2G2A
SCHEMBL11139095 0.84 EGLN1 (0.47) TGFBR1EGLN1KDM4EALDH1A1PLA2G2A
SCHEMBL23641442 0.78 TDP1 (0.37) TGFBR1
SCHEMBL4365280 0.78 MEN1 (0.36) TGFBR1KDM4EALDH1A1
SCHEMBL8379994 0.78 MCL1 (0.39) TGFBR1EGLN1ALDH1A1
SCHEMBL25968074 0.75 TGFBR1 (0.35) TGFBR1EGLN1KDM4EALDH1A1
SCHEMBL8376801 0.75 TGFBR1 (0.35) TGFBR1EGLN1KDM4EALDH1A1
SCHEMBL65636 0.74 EGLN1 (0.54) TGFBR1EGLN1KDM4EALDH1A1PLA2G2A
SCHEMBL366331 0.74 TGFBR1 (0.42) TGFBR1EGLN1KDM4EALDH1A1PLA2G2A
Acetic Acid SCHEMBL8397576 0.74 TGFBR1 (0.47) TGFBR1EGLN1KDM4EALDH1A1PLA2G2A

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