SCHEMBL7249698

SCHEMBL7249698

C=C(CF)C(=O)ONC(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 3/20 0.34
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
THRB P10828 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
KMT2A Q03164 1/20 0.30
SOAT1 P35610 1/20 0.30
MAPT P10636 2/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL28164018 0.85 ALDH1A1 (0.37) ALDH1A1TSHRGAAALOX15MGAM
SCHEMBL10795292 0.84 ALDH1A1 (0.36) ALDH1A1TSHRGAAALOX15MGAM
SCHEMBL28219613 0.82 GAA (0.39) ALDH1A1TSHRGAAALOX15MGAM
SCHEMBL1138886 0.81 GAA (0.38) ALDH1A1TSHRGAAALOX15MGAM
SCHEMBL20815 0.79 THRB (0.46) ALDH1A1TSHRGAAALOX15MGAM
SCHEMBL27727120 0.79 ALOX15 (0.43) ALDH1A1TSHRGAAALOX15MGAM
SCHEMBL14976946 0.79 ALDH1A1 (0.38) ALDH1A1TSHRGAAALOX15MGAM
SCHEMBL28623879 0.79 ALDH1A1 (0.38) ALDH1A1TSHRGAAALOX15MGAM
SCHEMBL2476700 0.79 ALDH1A1 (0.33) ALDH1A1TSHRGAAALOX15MGAM
SCHEMBL744097 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6635691-B2 Containing filler and a polymerizable matrix IVOCLAR VIVADENT AG (LI) 2003-10-21 US disclosed
US-20020040075-A1 Dental material containing a component which contracts during thermal treatment IVOCLAR VIVADENT AG. 2002-04-04 US disclosed