SCHEMBL30506530

SCHEMBL30506530

Cc1c(O)ccc(C(=O)CC(C)(C)C)c1O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ MAPT P10636 1/20 0.54
▸ SHBG P04278 1/20 0.51
▸ HSD17B10 Q99714 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ GRM2 Q14416 1/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL4946050 1.00 MEN1 (0.54) MEN1KMT2AMAPTSHBGHSD17B10
SCHEMBL25243117 0.83 — —
SCHEMBL25288911 0.83 GRM2 (0.44) GRM2
SCHEMBL12231322 0.81 GRM2 (0.38) GRM2
SCHEMBL480863 0.79 MEN1 (0.58) MEN1KMT2AMAPTSHBGHSD17B10
SCHEMBL29639744 0.79 MEN1 (0.58) MEN1KMT2AMAPTSHBGHSD17B10
SCHEMBL26384131 0.78 SHBG (0.58) MEN1KMT2AMAPTSHBGHSD17B10
SCHEMBL6102044 0.77 MEN1 (0.38) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL4388031 0.76 MEN1 (0.55) MEN1KMT2AMAPTSHBGHSD17B10
SCHEMBL29639745 0.76 MEN1 (0.55) MEN1KMT2AMAPTSHBGHSD17B10

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-4452918-A1 METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATORS (PAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2024-10-30 — — EP disclosed
WO-2023122276-A1 METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATORS (PAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2023-06-29 — — WO disclosed
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