SCHEMBL9485667

SCHEMBL9485667

CC(C)(C)OC(=O)c1cccc(C(=O)CC(=S)ON2C(=O)CCC2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.40
SRD5A1 P18405 1/20 0.35
ALOX15 P16050 1/20 0.34
STAT3 P40763 1/20 0.34
HTR7 P34969 2/20 0.34
HTR1A P08908 1/20 0.34
MAPK1 P28482 1/20 0.34
CASR P41180 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
KMT2A Q03164 2/20 0.32
BUB1 O43683 1/20 0.32
ALDH1A1 P00352 1/20 0.32
F2 P00734 2/20 0.31
LMNA P02545 1/20 0.31
MGLL Q99685 1/20 0.31
TMPRSS6 Q8IU80 1/20 0.31

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
SCHEMBL9494583 0.84 SLC7A5 (0.44) SLC7A5SRD5A1ALOX15STAT3HTR7
SCHEMBL9724338 0.79 SMN1; SMN2 (0.47) ALOX15MAPK1KMT2AALDH1A1MGLL
SCHEMBL14860981 0.72 MAPK1 (0.48) MAPK1KMT2AALDH1A1LMNAMGLL
SCHEMBL110296 0.72 SLC7A5 (0.58) SLC7A5SRD5A1ALOX15STAT3ABCB1
SCHEMBL6635090 0.72 BRD4 (0.44) SLC7A5
SCHEMBL4396144 0.71 SLC7A5 (0.43) SLC7A5ALDH1A1LMNA
Water SCHEMBL28897664 0.71 SLC7A5 (0.56) SLC7A5SRD5A1ALOX15STAT3ABCB1
Hydrogen Peroxide SCHEMBL27146001 0.71 SLC7A5 (0.60) SLC7A5ALOX15STAT3ABCB1ABCG2
SCHEMBL28350987 0.71 SLC7A5 (0.56) SLC7A5SRD5A1ALOX15STAT3ABCB1
SCHEMBL5337977 0.70 SLC7A5 (0.55) SLC7A5ALOX15STAT3ABCB1ABCG2

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
US-5180816-A One vial method for labeling protein/linker conjugates with technetium-99M CENTOCOR (US) 1993-01-19 US disclosed