SCHEMBL7862047

SCHEMBL7862047

CC(C)(C)OC(=O)C(CCC(=O)O)CC[PH](=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 13/20 0.35
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM3 Q14832 3/20 0.32
CYP1A2 P05177 2/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32

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
SCHEMBL8470935 0.86 FOLH1 (0.36) FOLH1MEN1GAAKMT2AGRM3
SCHEMBL7541169 0.85 FOLH1 (0.33) FOLH1MEN1GAAKMT2ACYP1A2
SCHEMBL28570650 0.80 HDAC1 (0.42) FOLH1MEN1GAAKMT2ACYP1A2
SCHEMBL4537975 0.78 FOLH1 (0.40) FOLH1MEN1GAAKMT2AGRM3
SCHEMBL7854834 0.77 FOLH1 (0.34) FOLH1MEN1GAAKMT2AGRM3
SCHEMBL7536923 0.76 FOLH1 (0.55) FOLH1GRM3CYP1A2GRM8GRM6
SCHEMBL11420045 0.76 KMT2A (0.37) FOLH1KMT2A
SCHEMBL764175 0.76 FOLH1 (0.39) FOLH1CYP1A2GABRPGABRDGABRA1
SCHEMBL16350134 0.76 FOLH1 (0.39) FOLH1CYP1A2GABRPGABRDGABRA1
SCHEMBL4537931 0.74 FOLH1 (0.37) FOLH1MEN1GAAKMT2AGRM3

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-1093453-A1 NAALADASE INHIBITORS USEFUL AS PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS GUILFORD PHARMACEUTICALS INC. (US) 2001-04-25 EP disclosed
WO-2000001668-A2 NAALADASE INHIBITORS USEFUL AS PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS GUILFORD PHARMACEUTICALS INC. (US) 2000-01-13 WO disclosed