SCHEMBL7041247

SCHEMBL7041247

O=C(CC(S)CCC(Cc1ccc(Oc2ccccc2)cc1C(=O)O)C(=O)O)NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.42
MMP1 P03956 5/20 0.39
MMP2 P08253 3/20 0.39
MMP13 P45452 3/20 0.39
MMP14 P50281 3/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
POLB P06746 1/20 0.37
ADAMTS4 O75173 2/20 0.37
ADAMTS5 Q9UNA0 2/20 0.37
MEP1B Q16820 1/20 0.37
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
PPARD Q03181 2/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL7041241 0.81 FOLH1 (0.42) FOLH1MMP1MMP2MMP13MMP14
SCHEMBL5054573 0.80 FOLH1 (0.50) FOLH1MMP1PPARGPPARAEPHX2
SCHEMBL5054206 0.72 FOLH1 (0.46) FOLH1
SCHEMBL5054576 0.71 FOLH1 (0.48) FOLH1LTA4H
SCHEMBL5053236 0.71 FOLH1 (0.75) FOLH1MEP1B
SCHEMBL6684906 0.71 FOLH1 (0.54) FOLH1MMP1LTA4H
SCHEMBL5059709 0.71 FOLH1 (0.51) FOLH1PPARG
SCHEMBL13996810 0.68 FOLH1 (0.62) FOLH1HDAC2HDAC8
SCHEMBL7041243 0.68 HDAC2 (0.48) MMP1MMP2MMP13MMP14POLB
SCHEMBL5051349 0.67 FOLH1 (0.51) FOLH1LTA4H

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-1292601-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2003-03-19 EP claimed
WO-2001092274-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO claimed