SCHEMBL20107264

SCHEMBL20107264

C[C@H]1OCC[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.43
▸ ACHE P22303 1/20 0.43
▸ CTSV O60911 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ CTSC P53634 1/20 0.40
▸ CTSF Q9UBX1 1/20 0.40
▸ PSEN1 P49768 3/20 0.39
▸ PSEN2 P49810 3/20 0.39
▸ APH1B Q8WW43 3/20 0.39
▸ NCSTN Q92542 3/20 0.39
▸ APH1A Q96BI3 3/20 0.39
▸ PSENEN Q9NZ42 3/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ TACR1 P25103 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL20707960 0.89 CTSL (0.43) BCHEACHECTSVCTSLCTSB
SCHEMBL27304154 0.85 BCHE (0.41) BCHEACHECTSVCTSLCTSB
SCHEMBL20458790 0.84 SLC6A2 (0.41) BCHEACHEPDPK1MTORTACR1
SCHEMBL8378757 0.82 PSEN1 (0.43) BCHEACHECTSVCTSLCTSB
SCHEMBL8664470 0.82 PSEN1 (0.43) BCHEACHECTSVCTSLCTSB
SCHEMBL8382578 0.82 BCHE (0.43) BCHEACHECTSVCTSLCTSB
SCHEMBL24378470 0.80 BCHE (0.47) BCHEACHECTSVCTSLCTSB
SCHEMBL24378329 0.80 BCHE (0.47) BCHEACHECTSVCTSLCTSB
SCHEMBL23278551 0.80 BCHE (0.47) BCHEACHECTSVCTSLCTSB
SCHEMBL29870527 0.80 BCHE (0.47) BCHEACHECTSVCTSLCTSB

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
EP-3315502-A1 C,O-SPIRO ARYL GLYCOSIDE COMPOUNDS, PREPARATION THEREFOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2018-05-02 — — EP disclosed
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