SCHEMBL9473759

SCHEMBL9473759

[CH2]C(C)O[C@@H]1[C@@H](NC(C)=O)[C@@H](O)O[C@@H]2COC(C)(C)O[C@@H]12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.36
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ THRB P10828 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
SCHEMBL9472844 0.88 MAPK1 (0.53) MAPK1KMT2ACA1CA2CA9
SCHEMBL10879140 0.87 MAPK1 (0.42) MAPK1KMT2ACA1CA2CA9
SCHEMBL7566969 0.81 KMT2A (0.37) MAPK1KMT2ACA1CA2CA9
SCHEMBL16367194 0.79 KMT2A (0.47) MAPK1KMT2ACA1CA2CA9
SCHEMBL8823006 0.79 KMT2A (0.47) MAPK1KMT2ACA1CA2CA9
SCHEMBL2503399 0.79 KMT2A (0.47) MAPK1KMT2ACA1CA2CA9
SCHEMBL12391259 0.79 KMT2A (0.47) MAPK1KMT2ACA1CA2CA9
SCHEMBL16864092 0.79 KMT2A (0.47) MAPK1KMT2ACA1CA2CA9
SCHEMBL8822994 0.75 L3MBTL1 (0.50) KMT2A
SCHEMBL13365650 0.75 CA1 (0.37) CA1CA2CA9

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
US-5264431-A Inhibitors for proteinkinase C CIBA-GEIGY CORP. (US) 1993-11-23 — — US disclosed
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