SCHEMBL24816917

SCHEMBL24816917

CCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.74
▸ ALDH1A1 P00352 2/20 0.69
▸ THRB P10828 1/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ CA1 P00915 1/20 0.57
▸ CA2 P00918 1/20 0.57
▸ CA9 Q16790 1/20 0.57
▸ CD69 Q07108 1/20 0.55
▸ LGALS8 O00214 1/20 0.55
▸ LGALS3 P17931 1/20 0.55
▸ LGALS4 P56470 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ POLB P06746 1/20 0.50

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
SCHEMBL16693961 1.00 MAPK1 (0.74) MAPK1ALDH1A1THRBSMN1; SMN2CA1
SCHEMBL12329227 1.00 MAPK1 (0.74) MAPK1ALDH1A1THRBSMN1; SMN2CA1
SCHEMBL18837839 1.00 MAPK1 (0.74) MAPK1ALDH1A1THRBSMN1; SMN2CA1
SCHEMBL17122744 1.00 MAPK1 (0.74) MAPK1ALDH1A1THRBSMN1; SMN2CA1
SCHEMBL16621305 1.00 MAPK1 (0.74) MAPK1ALDH1A1THRBSMN1; SMN2CA1
SCHEMBL14969562 1.00 MAPK1 (0.74) MAPK1ALDH1A1THRBSMN1; SMN2CA1
SCHEMBL12298272 1.00 MAPK1 (0.74) MAPK1ALDH1A1THRBSMN1; SMN2CA1
SCHEMBL15333809 1.00 MAPK1 (0.74) MAPK1ALDH1A1THRBSMN1; SMN2CA1
SCHEMBL19477858 1.00 MAPK1 (0.74) MAPK1ALDH1A1THRBSMN1; SMN2CA1
SCHEMBL900675 1.00 MAPK1 (0.74) MAPK1ALDH1A1THRBSMN1; SMN2CA1

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
CN-105753965-A Conjugate Based Systems For Controlled Drug Delivery 斯马特塞尔斯公司 2016-07-13 — — CN claimed
WO-2022268855-A1 PROBES BASED ON VOLATILE ORGANIC COMPOUNDS AND USES THEREOF FOR THE DIAGNOSIS AND PROGNOSIS OF PATHOLOGICAL CONDITIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-12-29 — — WO disclosed
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