SCHEMBL7640876

SCHEMBL7640876

CCCC(C)(CC)C(CC)(C(=O)O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
GGT1 P19440 1/20 0.30
FDPS P14324 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
SCHEMBL905441 1.00 ALDH1A1 (0.34) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL31462325 0.91 ALDH1A1 (0.34) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL905460 0.89 ARG1 (0.34) ALDH1A1MEN1KMT2ATSHRHSD17B10
SCHEMBL8043548 0.87 TSHR (0.38) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL8917782 0.87 CES2 (0.37) ALDH1A1MEN1KMT2ATSHRHSD17B10
SCHEMBL31462328 0.86 ALDH1A1 (0.34) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL8746380 0.86 CES2 (0.40) ALDH1A1MEN1KMT2ATSHRHSD17B10
SCHEMBL8917317 0.86 CES2 (0.40) ALDH1A1MEN1KMT2ATSHRHSD17B10
SCHEMBL8746360 0.86 CES2 (0.40) ALDH1A1MEN1KMT2ATSHRHSD17B10
SCHEMBL8746426 0.86 CES2 (0.40) ALDH1A1MEN1KMT2ATSHRHSD17B10

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