SCHEMBL17224491

SCHEMBL17224491

Cc1ncc(C(C)O)c(C=O)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ HPGD P15428 4/20 0.56
▸ LMNA P02545 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ AOX1 Q06278 1/20 0.56
▸ TRIM24 O15164 1/20 0.54
▸ TRIM33 Q9UPN9 1/20 0.54
▸ ESR1 P03372 2/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ ACP1 P24666 1/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ P2RX1 P51575 1/20 0.47
▸ P2RX2 Q9UBL9 1/20 0.47
▸ PDXK O00764 1/20 0.44
▸ ERN1 O75460 3/20 0.42
▸ ALB P02768 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33

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
SCHEMBL8835556 0.89 KDM4E (0.59) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL6045299 0.84 KDM4E (0.54) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL2467030 0.84 KDM4E (0.54) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL14687825 0.83 KDM4E (0.53) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL4576456 0.80 ESR1 (0.52) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL8265770 0.77 KDM4E (0.62) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL2692050 0.77 P2RX2 (0.56) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL11011837 0.76 KDM4E (0.57) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL26649434 0.74 KDM4E (0.59) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL3220371 0.74 LMNA (0.43) KDM4EALDH1A1HPGDLMNAMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220279831-A1 COMPOSITIONS, KITS AND METHODS FOR NUTRITION SUPPLEMENTATION EXELTIS FRANCE (FR) 2022-09-08 — — US claimed
CN-108947894-A Novel biaryl structure chirality N- methylpyridoxal catalyst and its synthesis and application 上海师范大学 2018-12-07 — — CN claimed
US-20220279831-A1 COMPOSITIONS, KITS AND METHODS FOR NUTRITION SUPPLEMENTATION EXELTIS FRANCE (FR) 2022-09-08 — — US disclosed
CN-108947894-A Novel biaryl structure chirality N- methylpyridoxal catalyst and its synthesis and application 上海师范大学 2018-12-07 — — CN disclosed
CN-108947894-A Novel biaryl structure chirality N- methylpyridoxal catalyst and its synthesis and application 上海师范大学 2018-12-07 — — CN disclosed
CN-108947894-A Novel biaryl structure chirality N- methylpyridoxal catalyst and its synthesis and application 上海师范大学 2018-12-07 — — CN disclosed
WO-2015167434-A1 COMPOSITIONS FOR NUTRITIONAL SUPPLEMENTATION FERNANDEZ EDUARDO (US) 2015-11-05 — — WO disclosed
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