SCHEMBL29387013

SCHEMBL29387013

O=C(O)COCC(=O)O.OC1(O)CCCCCCCCC1.OC1(O)CCCCCCCCC1.OC1(O)CCCCCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ CACNA2D1 P54289 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP2C19 P33261 2/20 0.40
▸ CTH P32929 1/20 0.33
▸ CBS P35520 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ THRB P10828 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ HSD11B1 P28845 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ PDE1A P54750 1/20 0.30
▸ PDE1B Q01064 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
Succinic Acid SCHEMBL27727078 0.78 LMNA (0.47) TSHRUSP2ALDH1A1LMNACYP1A2
Bicarbonate SCHEMBL6243183 0.77 CYP2C19 (0.40) TSHRUSP2ALDH1A1LMNACYP1A2
Bicarbonate SCHEMBL28681892 0.77 CYP2C19 (0.40) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL11920716 0.74 ALDH1A1 (0.44) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL26928 0.74 — —
SCHEMBL29214074 0.73 TSHR (0.55) TSHRALDH1A1LMNATHRB
SCHEMBL27720860 0.73 CYP2C19 (0.40) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL5509081 0.72 TSHR (0.42) TSHRUSP2ALDH1A1LMNACYP1A2
Acetic Acid SCHEMBL30455781 0.72 FFAR3 (0.41) TSHRUSP2ALDH1A1LMNACYP1A2
Acetic Acid SCHEMBL30455783 0.72 FFAR3 (0.41) TSHRUSP2ALDH1A1LMNACYP1A2

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-114044888-A Hydrolytically degradable polymers, method for the production thereof and use thereof 中国科学院宁波材料技术与工程研究所 2022-02-15 — — CN disclosed
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