SCHEMBL28378199

SCHEMBL28378199

OB(O)c1cc(CF)cc(CF)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.41
LPL P06858 5/20 0.36
LIPG Q9Y5X9 5/20 0.36
F11 P03951 1/20 0.34
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
MGLL Q99685 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 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
SCHEMBL18656335 0.81 MGLL (0.48) ENPP2MGLL
SCHEMBL2002928 0.78
SCHEMBL2230985 0.77 ENPP2 (0.67) ENPP2LPLLIPGF11CA4
SCHEMBL3781044 0.76 ENPP2 (0.60) ENPP2LPLLIPGF11CA4
SCHEMBL1191308 0.74 LPL (0.58) ENPP2LPLLIPGF11CA4
SCHEMBL1690441 0.74 ENPP2 (0.41) ENPP2LPLLIPGF11CA4
SCHEMBL3791528 0.74 LPL (0.58) ENPP2LPLLIPGF11MGLL
SCHEMBL7652222 0.70 ENPP2 (0.35) ENPP2LPLLIPGCA1CA2
SCHEMBL1651131 0.70
SCHEMBL16193057 0.70 TAAR1 (0.32) ENPP2

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
CN-108409647-B Preparation method of apatinib 盐城师范学院 2020-03-24 CN disclosed