SCHEMBL7366777

SCHEMBL7366777

O=C(O)CCC(c1ccc(F)cc1)C1CC1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.42
CACNA1B Q00975 2/20 0.39
FOLH1 Q04609 3/20 0.39
TBXA2R P21731 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM2 Q14416 1/20 0.37
GRM3 Q14832 1/20 0.37
PTGER1 P34995 1/20 0.36
PTGFR P43088 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL7401588 0.87 NAALAD2 (0.42) MEN1KMT2AGRM2GRM3ALDH1A1
SCHEMBL7364668 0.85 ANPEP (0.37) FOLH1MEN1KMT2AGRM2GRM3
SCHEMBL7396691 0.85 TSHR (0.36) FOLH1MEN1KMT2AGRM2GRM3
SCHEMBL7361675 0.85 CA1 (0.41) HSD11B1KMT2APTGFRALDH1A1CYP1A2
SCHEMBL7399249 0.85 GABBR2 (0.39) HSD11B1MEN1KMT2ACYP1A2
SCHEMBL7367783 0.82 HTT (0.37) HSD11B1TBXA2RGRM2GRM3
SCHEMBL7363863 0.79 CNR2 (0.36) MEN1KMT2AGRM2GRM3PTGER1
SCHEMBL7367347 0.79 GRM2 (0.37) MEN1KMT2AGRM2GRM3ALDH1A1
SCHEMBL7364859 0.77 ANPEP (0.43) FOLH1GRM2GRM3ALDH1A1CYP1A2
SCHEMBL7400114 0.77 SLC6A9 (0.41) GRM2GRM3PTGER1PTGFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed