SCHEMBL24984253

SCHEMBL24984253

O=C(O[C@@H]1Cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 1/20 0.61
▸ MEN1 O00255 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ ABCB1 P08183 15/20 0.55
▸ ABCC1 P33527 3/20 0.49
▸ ABCG2 Q9UNQ0 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HIF1A Q16665 1/20 0.47
▸ HSP90AB1 P08238 1/20 0.47

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
SCHEMBL30141106 1.00 STING1 (0.61) STING1MEN1MAPTKMT2AABCB1
SCHEMBL4674783 0.95 MEN1 (0.61) STING1MEN1MAPTKMT2AABCB1
SCHEMBL4674780 0.95 MEN1 (0.61) STING1MEN1MAPTKMT2AABCB1
SCHEMBL4639560 0.95 MEN1 (0.61) STING1MEN1MAPTKMT2AABCB1
SCHEMBL4639566 0.95 MEN1 (0.61) STING1MEN1MAPTKMT2AABCB1
SCHEMBL4639562 0.95 MEN1 (0.61) STING1MEN1MAPTKMT2AABCB1
SCHEMBL30141243 0.95 STING1 (0.56) STING1MEN1MAPTKMT2AABCB1
SCHEMBL24983694 0.94 STING1 (0.68) STING1MEN1MAPTKMT2AABCB1
SCHEMBL30141038 0.94 STING1 (0.68) STING1MEN1MAPTKMT2AABCB1
SCHEMBL30141024 0.93 STING1 (0.54) STING1MEN1MAPTKMT2AABCB1

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-2023288020-A1 COMPOSITIONS AND METHODS FOR ANTIOXIDANT AND ANTI-INFLAMMATORY THERAPEUTICS AVANTI BIOSCIENCES INC. (US) 2023-01-19 — — WO disclosed
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