SCHEMBL27303249

SCHEMBL27303249

CCCC(=O)OCC1OCCC(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.38
▸ NLRP3 Q96P20 1/20 0.37
▸ TNF P01375 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ BCHE P06276 2/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ TACR2 P21452 1/20 0.36
▸ ACHE P22303 1/20 0.36

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
SCHEMBL27304207 0.90 MGLL (0.47) MGLLALDH1A1TDP1
SCHEMBL27303269 0.90 MGLL (0.47) MGLLALDH1A1TDP1
SCHEMBL27303616 0.86 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRMAPK1BCHE
SCHEMBL27301322 0.86 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRMAPK1BCHE
SCHEMBL27303620 0.86 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRMAPK1BCHE
SCHEMBL27304125 0.86 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRMAPK1BCHE
SCHEMBL17867792 0.80 TNF (0.39) TNFALDH1A1CYP3A4TSHRMAPK1
SCHEMBL17867791 0.80 TNF (0.39) TNFALDH1A1CYP3A4TSHRMAPK1
SCHEMBL27304154 0.80 BCHE (0.41) BCHEACHE
SCHEMBL24256501 0.79 BCHE (0.52) BCHEACHE

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
WO-2024050020-A1 INVARIANT NATURAL KILLER T-CELL ACTIVATORS DECIDUOUS THERAPEUTICS, INC. (US) 2024-03-07 — — WO disclosed
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