SCHEMBL9472844

SCHEMBL9472844

CC(=O)N[C@@H]1[C@@H](OC(C)C(=O)O)[C@@H]2OC(C)(C)OC[C@H]2O[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.53
▸ KMT2A Q03164 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 1/20 0.32

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
SCHEMBL10879140 0.90 MAPK1 (0.42) MAPK1KMT2ANOD2ALDH1A1THRB
SCHEMBL9473759 0.88 MAPK1 (0.38) MAPK1KMT2AALDH1A1THRBCA1
SCHEMBL10907607 0.85 MAPK1 (0.40) MAPK1
SCHEMBL7566969 0.80 KMT2A (0.37) MAPK1KMT2ACA1CA2CA9
SCHEMBL9473154 0.79 L3MBTL1 (0.53) MAPK1KMT2AALDH1A1
SCHEMBL16367194 0.78 KMT2A (0.47) MAPK1KMT2AALDH1A1CA1CA2
SCHEMBL8823006 0.78 KMT2A (0.47) MAPK1KMT2AALDH1A1CA1CA2
SCHEMBL2503399 0.78 KMT2A (0.47) MAPK1KMT2AALDH1A1CA1CA2
SCHEMBL12391259 0.78 KMT2A (0.47) MAPK1KMT2AALDH1A1CA1CA2
SCHEMBL16864092 0.78 KMT2A (0.47) MAPK1KMT2AALDH1A1CA1CA2

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 3 patents. 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
US-4548923-A IMMUNOSTIMULANTS, BACTERICIDES, VIRICIDES CIBA GEIGY CORPORATION (US) 1985-10-22 — — US disclosed
US-4406889-A IMMUNOLOGY, PEPTIDES CIBA-GEIGY CORPORATION (US) 1983-09-27 — — US disclosed
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