SCHEMBL30940438

SCHEMBL30940438

O=C(O)Cc1ccc(O)c(O)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.48
▸ RGS12 O14924 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ GNAI1 P63096 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ SELL P14151 2/20 0.48
▸ SELP P16109 2/20 0.48

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
SCHEMBL8685874 1.00 AKR1B1 (0.58) AKR1B1KDM4ERGS12LMNAPOLB
SCHEMBL4067407 0.93 AKR1B1 (0.58) AKR1B1KDM4ERGS12LMNAPOLB
SCHEMBL30516544 0.85 AKR1B1 (0.52) AKR1B1KDM4ERGS12LMNAPOLB
SCHEMBL22982305 0.83 SELL (0.44) KDM4ETHPOHSD17B10SELLSELP
SCHEMBL31618870 0.83 SELL (0.44) KDM4ETHPOHSD17B10SELLSELP
SCHEMBL7824485 0.83 DUSP3 (0.61) AKR1B1KDM4ERGS12LMNAPOLB
SCHEMBL29829095 0.82 AKR1B1 (0.72) AKR1B1KDM4ELMNAPOLBGAA
SCHEMBL8791 0.82 AKR1B1 (0.72) AKR1B1KDM4ELMNAPOLBGAA
SCHEMBL5806386 0.81 AKR1B1 (0.52) AKR1B1KDM4ERGS12LMNAPOLB
SCHEMBL490950 0.80 POLB (0.50) POLBSELLSELP

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-118367119-A Organic matter modified carbon-based negative electrode material and manufacturing method thereof 贵州创德新能源科技有限公司 2024-07-19 — — CN disclosed
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