SCHEMBL8826317

SCHEMBL8826317

O=C(O)C1C(C(=O)OCc2ccc(Oc3ccccc3)cc2)C(C(=O)O)C1C(=O)OCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FABP7 O15540 4/20 0.59
▸ FABP5 Q01469 4/20 0.59
▸ MMP2 P08253 1/20 0.49
▸ FFAR1 O14842 3/20 0.49
▸ FFAR4 Q5NUL3 1/20 0.49
▸ SRD5A2 P31213 1/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8826314 1.00 FABP7 (0.59) FABP7FABP5MMP2FFAR1FFAR4
SCHEMBL7761974 0.87 FABP7 (0.49) FABP7FABP5
SCHEMBL7760087 0.87 FABP7 (0.49) FABP7FABP5
SCHEMBL7761978 0.87 FABP7 (0.49) FABP7FABP5
SCHEMBL7760093 0.87 FABP7 (0.49) FABP7FABP5
SCHEMBL7757018 0.87 FABP7 (0.73) FABP7FABP5SMN1; SMN2
SCHEMBL7757006 0.87 FABP7 (0.73) FABP7FABP5SMN1; SMN2
SCHEMBL12114007 0.87 FABP7 (0.73) FABP7FABP5SMN1; SMN2
SCHEMBL13432587 0.87 FABP7 (0.73) FABP7FABP5SMN1; SMN2
SCHEMBL31509821 0.87 FABP7 (0.73) FABP7FABP5SMN1; SMN2

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-5631401-A Inhibitors of protein farnesyltransferase and squalene synthase ABBOTT LABORATORIES (US) 1997-05-20 — — US disclosed
WO-1995021815-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND SQUALENE SYNTHASE ABBOTT LABORATORIES (US) 1995-08-17 — — WO disclosed
Send feedback