SCHEMBL20721979

SCHEMBL20721979

O=C(O)COC1(O)CCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.35
▸ CTH P32929 1/20 0.35
▸ CBS P35520 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ THRB P10828 1/20 0.33
▸ CYP2C19 P33261 1/20 0.32
▸ USP2 O75604 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ CACNA2D1 P54289 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL27720860 0.93 CYP2C19 (0.40) TSHRCTHCBSTHPOTHRB
SCHEMBL18074854 0.74 TSHR (0.33) TSHRCTHCBSTHPOTHRB
SCHEMBL20722072 0.71 KDM4E (0.30) TSHRALDH1A1
SCHEMBL31213026 0.70 CYP1A2 (0.38) TSHRCTHCBSTHPOTHRB
SCHEMBL31213025 0.68 CYP1A2 (0.41) TSHRCTHCBSTHPOTHRB
SCHEMBL22228986 0.67 — —
SCHEMBL7175558 0.67 CYP2C19 (0.33) TSHRCTHCBSTHPOTHRB
SCHEMBL29387013 0.65 TSHR (0.42) TSHRCTHCBSTHPOTHRB
SCHEMBL5516435 0.65 — —
SCHEMBL1734944 0.64 PTGDR (0.33) TSHRCTHCBSTHPOTHRB

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-3665156-A1 COMPOUNDS, COMPOSITIONS AND METHODS Denali Therapeutics Inc. (US) 2020-06-17 — — EP disclosed
WO-2019032743-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2019-02-14 — — WO disclosed
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