SCHEMBL4572050

SCHEMBL4572050

C[C@@H]1CCc2c(O)cc3c(c2O1)CN(CCO)C3=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.33
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ HSP90AB1 P08238 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ESR2 Q92731 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
SCHEMBL24632197 0.72 ALOX5 (0.43) —
SCHEMBL30753545 0.67 ST6GAL1 (0.66) —
SCHEMBL16378069 0.67 HPGD (0.36) HPGD
SCHEMBL28111518 0.65 DPP4 (0.35) KDM4EGABRA1DPP4
SCHEMBL12599523 0.64 HPGD (0.38) HPGDALDH1A1KDM4ELMNAHSP90AA1
SCHEMBL13520169 0.63 HPGD (0.43) HPGDALDH1A1KDM4ELMNA
SCHEMBL30962312 0.62 HPGD (0.35) HPGDALDH1A1KDM4ELMNAHSP90AA1
SCHEMBL26579405 0.61 L3MBTL1 (0.41) ALDH1A1LMNAESR2
SCHEMBL29370739 0.61 PARP1 (0.46) HPGDALDH1A1KDM4EGABRA1SMN1; SMN2
SCHEMBL17141584 0.60 DPP4 (0.33) KDM4EDPP4

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-2452679-A1 CYTOPROTECTIVE AGENT National University Corporation Tokyo University Of Agriculture and Technology (JP) 2012-05-16 — — EP disclosed
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