SCHEMBL6961028

SCHEMBL6961028

CCCOC(=O)Nc1ccccc1OCC

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.57
KMT2A Q03164 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
CYP2C19 P33261 1/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 2/20 0.55
LMNA P02545 2/20 0.55
RAB9A P51151 1/20 0.55
MCL1 Q07820 1/20 0.55
POLB P06746 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 2/20 0.53
EGFR P00533 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL9869942 0.89 GAA (0.69) GAASMN1; SMN2KMT2AL3MBTL1CYP2C19
SCHEMBL5657811 0.88 GAA (0.60) GAASMN1; SMN2KMT2AL3MBTL1CYP2C19
SCHEMBL6954631 0.86 KMT2A (0.68) SMN1; SMN2KMT2AL3MBTL1CYP2C19POLB
SCHEMBL10895253 0.84 GAA (0.71) GAASMN1; SMN2KMT2AL3MBTL1CYP2C19
SCHEMBL14027684 0.82 TDP1 (0.67) GAAL3MBTL1TDP1ALDH1A1
SCHEMBL10457597 0.81 NPC1 (0.65) GAASMN1; SMN2KMT2AL3MBTL1CYP2C19
SCHEMBL8110954 0.80 GAA (0.75) GAASMN1; SMN2KMT2AL3MBTL1CYP2C19
SCHEMBL9297476 0.80 KMT2A (0.75) GAASMN1; SMN2KMT2AL3MBTL1CYP2C19
SCHEMBL14027686 0.80 ALDH1A1 (0.54) GAALMNAPOLBTDP1ALDH1A1
SCHEMBL17856292 0.80 NPC1 (0.65) SMN1; SMN2KMT2AL3MBTL1CYP2C19NPC1

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
EP-1362041-A1 ARYL CARBAMATE DERIVATIVES, PREPARATION AND USE THEREOF Cerep (FR) 2003-11-19 EP disclosed
WO-2002068399-A1 ARYL CARBAMATE DERIVATIVES, PREPARATION AND USE THEREOF CEREP (FR) 2002-09-06 WO disclosed