SCHEMBL9809755

SCHEMBL9809755

O=[N+]([O-])C[C@@H](O)[C@]1(O)C(c2ccccc2)[C@](O)(CO)[C@H]1O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 3/20 0.34
GSR P00390 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
ADAM17 P78536 1/20 0.31
CNR1 P21554 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
SCHEMBL2353574 0.82 ABCB1 (0.33)
SCHEMBL6516446 0.66 KDM1A (0.33) ALDH1A1
SCHEMBL29045374 0.61 KDM1A (0.35) GSRALDH1A1
SCHEMBL9809746 0.60 SLC5A2 (0.37)
SCHEMBL1986382 0.60 GSR (0.51) CPA1GSRALDH1A1NPC1ADAM17
SCHEMBL9489237 0.59 KDM1A (0.44) ALDH1A1
SCHEMBL5521085 0.59 ALDH1A1 (0.67) CPA1GSRALDH1A1NPC1ADAM17
SCHEMBL1348353 0.59 ALDH1A1 (0.67) CPA1GSRALDH1A1NPC1ADAM17
SCHEMBL6256630 0.59 ALDH1A1 (0.67) CPA1GSRALDH1A1NPC1ADAM17
SCHEMBL18095957 0.58 GSR (0.45) CPA1GSRALDH1A1NPC1ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE33719-E Sweetened edible formulations BIOSPHERICS INCORPORATED (US) 1991-10-15 US disclosed
US-4262032-A L-HEXOSE MONOSACCHARIDES BIOSPHERICS INCORPORATED (US) 1981-04-14 US disclosed