SCHEMBL7646486

SCHEMBL7646486

O=C(CI)CC1C(=O)NC(=O)NC1=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
TSHR P16473 3/20 0.33
RGS12 O14924 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL3245663 0.68 HSD17B10 (0.38) HSD17B10LMNAGAAMAPTHTT
SCHEMBL28786979 0.67 HSD17B10 (0.40) HSD17B10LMNAGAAMAPTHTT
SCHEMBL12480441 0.67 HTT (0.53) HSD17B10LMNAGAAMAPTHTT
SCHEMBL17898549 0.66 IDO1 (0.40) HSD17B10LMNAGAAMAPTHTT
SCHEMBL9227344 0.64 ALDH1A1 (0.38) HSD17B10LMNAGAAMAPTHTT
SCHEMBL145905 0.62 TSHR (0.46) HSD17B10LMNAGAAMAPTHTT
SCHEMBL6745338 0.62 HSD17B10 (0.37) HSD17B10LMNAGAAMAPTHTT
SCHEMBL3396411 0.61 MAP3K14 (0.39) HSD17B10LMNAMAPTALDH1A1
SCHEMBL11666010 0.60 ALDH1A1 (0.53) HSD17B10LMNAGAAMAPTHTT
SCHEMBL2162536 0.60 ALDH1A1 (0.42) HSD17B10LMNAMAPTTSHRRGS12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6472227-B1 A FLUORESCEIN MOIETY IS INCLUDED IN THE TRACER, WHILE A POLY(AMINO ACID) FORMS A PART OF THE IMMUNOGEN FOR DETERMINING THE AMOUNT OF BARBITURATE IN FLUIDS, ESPECIALLY BIOLOGICAL FLUIDS SUCH AS SERUM, PLASMA OR URINE ABBOTT LABORATORIES 2002-10-29 US disclosed
EP-0457213-B1 Barbiturate assay, tracers, immunogens, antibodies and kit ABBOTT LAB (US) 1997-07-23 EP disclosed
EP-0457213-A2 Barbiturate assay, tracers, immunogens, antibodies and kit ABBOTT LABORATORIES (US) 1991-11-21 EP disclosed
EP-0373508-A2 Barbiturate assay, tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1990-06-20 EP disclosed