SCHEMBL16097699

SCHEMBL16097699

CCOC(=O)[C@](CC)(CO)NC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.45
POLB P06746 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PIN1 Q13526 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL29189052 0.85 MAPK1 (0.47) MAPK1KMT2AMEN1ATMSMN1; SMN2
SCHEMBL16096955 0.85 MAPK1 (0.50) MAPK1KMT2AMEN1ATMSMN1; SMN2
SCHEMBL16103185 0.82 NAAA (0.51) MAPK1KMT2ANPC1RAB9APOLB
SCHEMBL16097184 0.81 MAPK1 (0.51) MAPK1KMT2AMEN1ATMSMN1; SMN2
SCHEMBL621763 0.78 ALDH1A1 (0.52) MAPK1KMT2AMEN1ATMSMN1; SMN2
SCHEMBL27574238 0.73 ALDH1A1 (0.57) MAPK1KMT2AMEN1ATMSMN1; SMN2
SCHEMBL16097333 0.72 MAPK1 (0.51) MAPK1KMT2AMEN1ATMSMN1; SMN2
SCHEMBL3927037 0.72 POLB (0.47) MAPK1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL3927036 0.72 POLB (0.47) MAPK1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL14724517 0.71 RAB9A (0.49) MAPK1KMT2ASMN1; SMN2NPC1GAA

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
WO-2014148929-A1 METHOD OF ENZYMATIC RESOLUTION OF SERINE RACEMIC DERIVATIVE PETER-WIRSKI, Maciej (PL) 2014-09-25 WO claimed
WO-2014148929-A1 METHOD OF ENZYMATIC RESOLUTION OF SERINE RACEMIC DERIVATIVE PETER-WIRSKI, Maciej (PL) 2014-09-25 WO disclosed