SCHEMBL7041241

SCHEMBL7041241

O=C(CSCCCC(Cc1ccc(Oc2ccccc2)cc1C(=O)O)C(=O)O)NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.42
PPARG P37231 6/20 0.37
PPARA Q07869 5/20 0.37
PPARD Q03181 3/20 0.37
MMP1 P03956 5/20 0.37
HDAC2 Q92769 1/20 0.37
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
POLB P06746 1/20 0.35
MMP2 P08253 2/20 0.35
MMP13 P45452 2/20 0.35
MMP14 P50281 2/20 0.35
ADAMTS4 O75173 1/20 0.35
MEP1B Q16820 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
EPHX2 P34913 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL7041247 0.81 FOLH1 (0.42) FOLH1PPARGPPARAPPARDMMP1
SCHEMBL5054570 0.80 FOLH1 (0.46) FOLH1PPARGPPARAPPARDMMP1
SCHEMBL5054572 0.74 FOLH1 (0.45) FOLH1PPARGPTGESALOX5
SCHEMBL5051212 0.73 FOLH1 (0.47) FOLH1
SCHEMBL5053231 0.73 FOLH1 (0.66) FOLH1MEP1B
SCHEMBL5054201 0.72 FOLH1 (0.44) FOLH1EPHX2
SCHEMBL5059704 0.71 MEN1 (0.48) FOLH1PPARGPTGESALOX5
SCHEMBL5051245 0.71 FOLH1 (0.48) FOLH1MEP1B
SCHEMBL5057858 0.70 FOLH1 (0.65) FOLH1MEP1B
SCHEMBL5052919 0.69 FOLH1 (0.58) FOLH1MEP1B

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