Sugi Predict

Sugi Predict / Compounds / SCHEMBL7997698

SCHEMBL7997698

SCHEMBL7997698

COC(=O)c1cc(OCC2COC(C)(C)O2)cc(-c2ccc(C)cc2N)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 14/20 0.44
▸ CCNK O75909 1/20 0.38
▸ CDK12 Q9NYV4 1/20 0.38
▸ ALK Q9UM73 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1495778 0.88 MAPK14 (0.38) MAPK14CCNKCDK12ALKHCRTR1
SCHEMBL27548659 0.82 CA2 (0.42) MAPK14CCNKCDK12
SCHEMBL7768491 0.82 CA2 (0.42) MAPK14CCNKCDK12
SCHEMBL1495644 0.79 MAPK14 (0.38) MAPK14CCNKCDK12ALKHCRTR1
SCHEMBL1075428 0.76 MAPK14 (0.45) MAPK14RAB9ASMN1; SMN2
SCHEMBL16193077 0.76 MAPK14 (0.45) MAPK14RAB9ASMN1; SMN2
SCHEMBL1075429 0.76 MAPK14 (0.45) MAPK14RAB9ASMN1; SMN2
SCHEMBL9149708 0.76 MAPT (0.50) MAPK14MAPTRAB9ASMN1; SMN2
SCHEMBL22056912 0.74 MAPK14 (0.50) MAPK14CCNKCDK12MAPT
SCHEMBL8008715 0.74 TDP1 (0.49) MAPTRAB9ASMN1; 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
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 — — WO disclosed