SCHEMBL7041129

SCHEMBL7041129

O=C(O)c1c(Br)cccc1COc1cccc(CCS)c1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 10/20 0.72
ALDH1A1 P00352 1/20 0.51
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
FFAR4 Q5NUL3 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
FFAR1 O14842 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
SCHEMBL4368048 0.85 FOLH1 (0.69) FOLH1ALDH1A1MRGPRX4FFAR4
SCHEMBL4379735 0.85 FOLH1 (0.69) FOLH1ALDH1A1MRGPRX4FFAR4
SCHEMBL4379587 0.84 FOLH1 (0.81) FOLH1PPARAFFAR4HTTFFAR1
SCHEMBL4374230 0.84 FOLH1 (1.00) FOLH1ALDH1A1PPARAMRGPRX4TP53
SCHEMBL4379752 0.83 FOLH1 (1.00) FOLH1
SCHEMBL4380757 0.83 FOLH1 (0.74) FOLH1FFAR4FFAR1
SCHEMBL4373083 0.83 FOLH1 (0.74) FOLH1FFAR4TP53HTTFFAR1
SCHEMBL4368704 0.82 FOLH1 (0.77) FOLH1ALDH1A1MRGPRX4FFAR4FFAR1
SCHEMBL4371610 0.82 FOLH1 (0.68) FOLH1ALDH1A1MRGPRX4FFAR4FFAR1
SCHEMBL4367224 0.82 FOLH1 (0.68) FOLH1ALDH1A1MRGPRX4

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