SCHEMBL22047136

SCHEMBL22047136

NC1C[C@@H](N)C(O)C(O)[C@@H]1O[C@H]1OC(CO)[C@@H](O)[C@H](N)C1N

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRAT O95237 2/20 0.66
ALOX15 P16050 2/20 0.64
KDM4E B2RXH2 1/20 0.64
TSHR P16473 2/20 0.62
MEN1 O00255 2/20 0.62
GJA1 P17302 1/20 0.62
GJB2 P29033 1/20 0.62
CYP2C9 P11712 1/20 0.62
KMT2A Q03164 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.61
HPSE Q9Y251 1/20 0.60
CYP3A4 P08684 1/20 0.60
HSD17B10 Q99714 1/20 0.58
TRPV1 Q8NER1 1/20 0.56
MAPT P10636 1/20 0.56

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
SCHEMBL13890068 1.00 LRAT (0.66) LRATALOX15KDM4ETSHRMEN1
SCHEMBL17323661 1.00 LRAT (0.66) LRATALOX15KDM4ETSHRMEN1
SCHEMBL13873415 1.00 LRAT (0.66) LRATALOX15KDM4ETSHRMEN1
SCHEMBL19619213 1.00 LRAT (0.66) LRATALOX15KDM4ETSHRMEN1
SCHEMBL16882180 1.00 LRAT (0.66) LRATALOX15KDM4ETSHRMEN1
SCHEMBL29593928 0.91 TSHR (0.74) LRATALOX15KDM4ETSHRMEN1
SCHEMBL9612084 0.91 TSHR (0.74) LRATALOX15KDM4ETSHRMEN1
SCHEMBL29885390 0.91 TSHR (0.74) LRATALOX15KDM4ETSHRMEN1
SCHEMBL17881390 0.91 TSHR (0.74) LRATALOX15KDM4ETSHRMEN1
Paromamine SCHEMBL14495298 0.91 LRAT (0.79) LRATALOX15KDM4ETSHRMEN1

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-2020113124-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING OCULAR DISEASES ELOXX PHARMACEUTICALS (US) 2020-06-04 WO disclosed