SCHEMBL28544016

SCHEMBL28544016

O=C(O)C(O)CN1C=NCC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMO O15229 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
Water SCHEMBL28222834 0.96 OR51E2 (0.34) OR51E2ALDH1A1KMO
Propane SCHEMBL29127383 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL27956776 0.78
SCHEMBL3435581 0.69 TSHR (0.33)
SCHEMBL9740247 0.69 GLA (0.37) ALDH1A1KMOSMN1; SMN2
Hydrochloric Acid SCHEMBL11622681 0.68 GLA (0.40) KMOSMN1; SMN2
Acetic Acid SCHEMBL27942237 0.68 LMNA (0.32)
Water SCHEMBL28143655 0.67 GLA (0.35) SMN1; SMN2
SCHEMBL26547315 0.67 CYP1A2 (0.44) SMN1; SMN2
Water SCHEMBL28143654 0.67 GLA (0.35) SMN1; SMN2

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
CN-112601515-A Method and composition for coloring keratin fibers 莱雅公司 2021-04-02 CN disclosed