SCHEMBL7603053

SCHEMBL7603053

CCOC(CNC(=O)c1ccccc1)OC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ATM Q13315 1/20 0.55
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NAAA Q02083 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL6810401 0.92 ATM (0.63) MEN1KMT2AATMMAPK1ALDH1A1
SCHEMBL3601229 0.89 KMT2A (0.68) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL7596045 0.86 NAAA (0.51) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL17981317 0.81 MAPK1 (0.61) MEN1KMT2AATMMAPK1ALDH1A1
SCHEMBL25144640 0.78 SMN1; SMN2 (0.47) MEN1KMT2AATMALDH1A1GAA
SCHEMBL18651717 0.78 NAMPT (0.60) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL17426920 0.78 MAPK1 (0.57) MEN1KMT2AATMMAPK1ALDH1A1
SCHEMBL18942220 0.78 SMN1; SMN2 (0.53) MEN1KMT2AATMALDH1A1GAA
SCHEMBL18942306 0.78 SMN1; SMN2 (0.53) MEN1KMT2AATMALDH1A1GAA
SCHEMBL18680060 0.78 SMN1; SMN2 (0.56) MEN1KMT2AGAASMN1; SMN2NPC1

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
EP-1078916-B1 Process for the preparation of N-acylaminoacid esters and N-acylaminoacetals BASF AG (DE) 2002-12-11 EP disclosed