SCHEMBL7626440

SCHEMBL7626440

COc1cccc(I)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.46
FABP3 P05413 1/20 0.46
FABP5 Q01469 1/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA4 P22748 1/20 0.46
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
HTR1A P08908 1/20 0.39

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
SCHEMBL28318243 0.93 FABP4 (0.42) FABP4FABP3FABP5CA1CA2
SCHEMBL7285232 0.85 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL355567 0.85 CA1 (0.57) FABP4FABP3FABP5CA1CA2
Trifluoromethanesulfonic Acid SCHEMBL8735173 0.83 FABP4 (0.42) FABP4FABP3FABP5CA1CA2
Trifluoromethanesulfonic Acid SCHEMBL27404808 0.83 FABP4 (0.42) FABP4FABP3FABP5CA1CA2
Phosphine SCHEMBL27891320 0.83 CA1 (0.55) FABP4FABP3FABP5CA1CA2
Water SCHEMBL28136778 0.83 CA1 (0.55) FABP4FABP3FABP5CA1CA2
Hydrochloric Acid SCHEMBL30310852 0.83 CA1 (0.55) FABP4FABP3FABP5CA1CA2
Benzene SCHEMBL28977457 0.83 CA1 (0.55) FABP4FABP3FABP5CA1CA2
SCHEMBL1423766 0.80 MGAM (0.52) PTGS1BCHESYKLMNAGAA

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-0896043-B1 Adhesive TOKUYAMA CORP (JP) 2002-10-23 EP disclosed
US-6133338-A TYPIFIED BY 6-METHACRYLOYLOXYHEXYL 2-THIOURACIL-5-CARBOXYLATE, A RADICAL-POLYMERIZABLE MONOMER, AND A POLYMERIZATION INITIATOR; DENTAL ADHESIVE; GOOD ADHESIVENESS TO NOBLE METALS AND ALLOYS THEREOF TOKUYAMA CORPORATION (JP) 2000-10-17 US disclosed
EP-0896043-A1 Adhesive TOKUYAMA CORPORATION (JP) 1999-02-10 EP disclosed