SCHEMBL27691527

SCHEMBL27691527

CC(C=O)c1ccc(O)c(I)c1O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRB1 P18505 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ RNASEH1 O60930 1/20 0.31
▸ TYR P14679 1/20 0.30

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
SCHEMBL1829639 0.70 TP53 (0.37) ERN1GABRA1GABRB2
SCHEMBL28765675 0.69 GRM1 (0.33) —
SCHEMBL4378835 0.68 GABRA1 (0.58) ERN1GABRA1GABRB1GABRB2
SCHEMBL7519487 0.67 KMT2A (0.51) ERN1GABRA1GABRB1
SCHEMBL16096105 0.66 ERN1 (0.52) ERN1TYR
SCHEMBL1831694 0.65 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL28855979 0.64 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL1827944 0.64 GAA (0.44) —
SCHEMBL15239771 0.64 TRPA1 (0.43) ERN1GABRA1GABRB1GABRB2TYR
SCHEMBL933028 0.63 GABRA1 (0.50) GABRA1GABRB1GABRB2

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
CN-101061105-A Potentiators of glutamate receptors LILLY CO ELI (US) 2007-10-24 — — CN disclosed
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