SCHEMBL7936445

SCHEMBL7936445

O=C(COCc1ccccc1)CC1NC(=O)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CASP1 P29466 1/20 0.44
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
GLA P06280 1/20 0.40
ADAMTS4 O75173 1/20 0.40
ADAMTS5 Q9UNA0 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
SCHEMBL1011756 0.82 BCHE (0.50) GAAALDH1A1MEN1KMT2ACASP1
SCHEMBL476827 0.75 TSHR (0.61) ALDH1A1KMT2ANPC1MAPTRAB9A
SCHEMBL18015918 0.72 HCAR2 (0.58) GAAALDH1A1GLAPOLBIDO1
SCHEMBL14357764 0.72 HDAC8 (0.57) GAAADAMTS4ADAMTS5POLB
SCHEMBL1011632 0.72 HDAC8 (0.57) GAAADAMTS4ADAMTS5POLB
SCHEMBL6702666 0.71 TSHR (0.56) ALDH1A1KMT2ANPC1MAPTRAB9A
Formaldehyde SCHEMBL8658362 0.71 TSHR (0.56) ALDH1A1KMT2ANPC1MAPTRAB9A
SCHEMBL23783221 0.70 GBA1 (0.49) NPC1
SCHEMBL23258691 0.70 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL9956104 0.70 TSHR (0.54) ALDH1A1KMT2AKDM4ENPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862464-A4 AMINO ACID ANALOGS FOR TUMOR IMAGING UNIV EMORY (US) 2001-07-25 EP disclosed
US-5817776-A TECHNETIUM 99 COMPLEXES, SINGLE PHOTON EMISSION TOMOGRAPHY EMORY UNIVERSITY (US) 1998-10-06 US disclosed
US-5808146-A Amino acid analogs for tumor imaging EMORY UNIVERSITY (US) 1998-09-15 US disclosed
EP-0862464-A1 AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 1998-09-09 EP disclosed
WO-1997017092-A1 AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 1997-05-15 WO disclosed