SCHEMBL9625665

SCHEMBL9625665

CCOC(=O)COCCOCCC(=O)Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 6/20 0.38
TRPA1 O75762 1/20 0.38
CYP1A2 P05177 1/20 0.37
TSHR P16473 4/20 0.37
TP53 P04637 1/20 0.34
NLRP3 Q96P20 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6665142 0.86 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8988944 0.85 ALDH1A1 (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11163358 0.84 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL25312474 0.81 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8150568 0.81 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL26728149 0.80 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17947671 0.80 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17947600 0.80 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20365463 0.80 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL364270 0.80 ALDH1A1 (0.54) GAAMGAMSIMGAM2ALDH1A1

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
EP-0265496-B1 FLECAINIDE DERIVATIVES AND THEIR USE IN IMMUNOASSAYS RIKER LABORATORIES, INC. (US) 1992-03-18 EP disclosed
EP-0265496-A1 Flecainide derivatives and their use in immunoassays. RIKER LABORATORIES INC (US) 1988-05-04 EP disclosed
WO-1987006578-A2 NOVEL FLECAINIDE DERIVATIVES AND THEIR USE IN IMMUNOASSAYS RIKER LABORATORIES, INC. (US) 1987-11-05 WO disclosed