SCHEMBL6681673

SCHEMBL6681673

COc1ccc(C(F)(F)F)c(C(=O)O)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.47
FABP3 P05413 1/20 0.47
FABP5 Q01469 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.40
S1PR1 P21453 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
MAOB P27338 1/20 0.39
HK2 P52789 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CDC25B P30305 1/20 0.38

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
SCHEMBL28772164 0.81 AR (0.43) FABP4FABP3FABP5CA12CA1
SCHEMBL6641523 0.80 FABP4 (0.43) FABP4FABP3S1PR1MAPTSMN1; SMN2
SCHEMBL1633542 0.77 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL425534 0.76 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL1534127 0.75 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL31280248 0.75 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL7128807 0.75 FABP4 (0.48) FABP4FABP3FABP5CA12CA1
SCHEMBL14675660 0.73 FABP4 (0.56) FABP4FABP3FABP5CA12CA1
SCHEMBL29404903 0.72 RXRA (0.42) CA12CA1CA2CA7CA9
SCHEMBL3193329 0.72 RXRA (0.42) CA12CA1CA2CA7CA9

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
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed