SCHEMBL9697569

SCHEMBL9697569

CC(C)(C)N(C(=O)OCc1ccccc1)[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 8/20 0.51
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.41
CPA3 P15088 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL8051476 0.91 FOLH1 (0.43) FOLH1ALDH1A1
SCHEMBL11165465 0.91 ALDH1A1 (0.48) FOLH1ALDH1A1SMN1; SMN2HTT
SCHEMBL4837028 0.90 FOLH1 (0.50) FOLH1ALDH1A1SMN1; SMN2HTT
SCHEMBL5146905 0.87 ALDH1A1 (0.51) FOLH1ALDH1A1SMN1; SMN2CPA3
SCHEMBL9219335 0.85 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2
SCHEMBL5421388 0.85 ALDH1A1 (0.53) FOLH1ALDH1A1SMN1; SMN2
SCHEMBL31422729 0.85 ALDH1A1 (0.53) FOLH1ALDH1A1SMN1; SMN2
SCHEMBL2957718 0.84 ALDH1A1 (0.51) FOLH1ALDH1A1SMN1; SMN2
SCHEMBL28773040 0.83 FOLH1 (0.47) FOLH1ALDH1A1SMN1; SMN2CPA3HTT
SCHEMBL7087077 0.83 FOLH1 (0.63) FOLH1ALDH1A1CPA3HTT

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
EP-0509643-A1 Anti-cancer compounds BTG INTERNATIONAL LIMITED (GB) 1992-10-21 EP disclosed