SCHEMBL6037792

SCHEMBL6037792

O=C(CCCSCCCC(Cc1cccc(C(=O)O)c1)C(=O)O)NO

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 14/20 0.65
MEP1B Q16820 5/20 0.46
MEP1A Q16819 1/20 0.45

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
SCHEMBL5052904 0.97 FOLH1 (0.63) FOLH1MEP1BMEP1A
SCHEMBL6687311 0.95 FOLH1 (0.65) FOLH1MEP1BMEP1A
SCHEMBL5052882 0.95 FOLH1 (0.65) FOLH1MEP1BMEP1A
SCHEMBL5054710 0.92 FOLH1 (0.72) FOLH1MEP1BMEP1A
SCHEMBL5054387 0.90 FOLH1 (0.66) FOLH1MEP1BMEP1A
SCHEMBL5053231 0.90 FOLH1 (0.66) FOLH1MEP1BMEP1A
SCHEMBL5060070 0.87 FOLH1 (0.76) FOLH1MEP1BMEP1A
SCHEMBL5057858 0.86 FOLH1 (0.65) FOLH1MEP1BMEP1A
SCHEMBL6037794 0.84 FOLH1 (0.65) FOLH1MEP1B
SCHEMBL5051109 0.84 FOLH1 (0.67) FOLH1MEP1BMEP1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 WO disclosed