SCHEMBL8469613

SCHEMBL8469613

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.66
GRM3 Q14832 2/20 0.55
CPA3 P15088 1/20 0.48

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
SCHEMBL6380391 1.00 FOLH1 (0.66) FOLH1GRM3CPA3
SCHEMBL5134379 0.88 FOLH1 (0.65) FOLH1GRM3CPA3
SCHEMBL6381374 0.84 FOLH1 (0.58) FOLH1CPA3
SCHEMBL5134212 0.81 FOLH1 (0.62) FOLH1GRM3CPA3
Toluene SCHEMBL6380394 0.80 GRM3 (0.60) FOLH1GRM3
SCHEMBL8052865 0.80 FOLH1 (1.00) FOLH1GRM3CPA3
SCHEMBL5052894 0.79 CPA3 (0.71) FOLH1GRM3CPA3
SCHEMBL12145183 0.79 GRM3 (0.68) FOLH1GRM3CPA3
SCHEMBL25448705 0.79 ALDH1A1 (0.53) FOLH1CPA3
SCHEMBL21430281 0.79 ALDH1A1 (0.53) FOLH1CPA3

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-1999033847-A1 PHOSPHINIC ALKANOIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1999-07-08 WO disclosed