SCHEMBL9472134

SCHEMBL9472134

CC(=O)N[C@@H]1[C@@H](OC(C)C(=O)OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](CO)O[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.54
▸ NOD2 Q9HC29 1/20 0.42
▸ TACR2 P21452 1/20 0.41
▸ HRAS P01112 1/20 0.40
▸ LGALS8 O00214 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ MAG P20916 1/20 0.38
▸ LGALS3 P17931 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL11170170 0.92 MAPK1 (0.65) MAPK1NOD2TACR2HRASALDH1A1
SCHEMBL11590064 0.90 MAPK1 (0.50) MAPK1NOD2TACR2HRASLGALS8
SCHEMBL7774709 0.88 MAPK1 (0.50) MAPK1TACR2HRASLGALS8LGALS3
SCHEMBL9472679 0.84 TNF (0.41) MAPK1ALDH1A1TP53MDM2LMNA
SCHEMBL13491610 0.84 MAPK1 (0.48) MAPK1TACR2HRASLGALS8LGALS3
SCHEMBL31134199 0.82 MAPK1 (0.58) MAPK1HRASLGALS8MAGLGALS3
SCHEMBL8822997 0.82 MAPK1 (0.58) MAPK1HRASLGALS8MAGLGALS3
SCHEMBL8332380 0.81 POLB (0.49) TACR2TP53MDM2L3MBTL1LMNA
SCHEMBL1149280 0.80 HRAS (0.47) MAPK1TACR2HRASLGALS8MAG
SCHEMBL11170361 0.79 MAPK1 (0.50) MAPK1NOD2HRASTP53MDM2

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
Send feedback