SCHEMBL3482896

SCHEMBL3482896

NC(=O)C(CO)(Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
PLAU P00749 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
CTSS P25774 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL13268449 0.89 MEN1 (0.44) MEN1KMT2ACA12CA1CA2
SCHEMBL3482670 0.85 MEN1 (0.50) MEN1KMT2ACA12CA1CA2
SCHEMBL11588974 0.84 KMT2A (0.52) MEN1KMT2ACA12CA1CA2
SCHEMBL7271033 0.84 KMT2A (0.52) MEN1KMT2ACA12CA1CA2
SCHEMBL13774925 0.81 KMT2A (0.47) MEN1KMT2ACA12CA1CA2
SCHEMBL1697372 0.80 ALDH1A1 (0.48) KMT2ASMN1; SMN2LMNATSHRMAPT
SCHEMBL8915981 0.79 HTT (0.50) MEN1KMT2ACA12CA1CA2
SCHEMBL567578 0.78 MEN1 (0.56) MEN1KMT2ACA12CA1CA2
SCHEMBL10887763 0.78 MEN1 (0.47) MEN1KMT2ACA12CA1CA2
SCHEMBL15552484 0.77 KMT2A (0.55) MEN1KMT2ACA12CA1CA2

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-2010107993-A2 PROCESS FOR PREPARING (R)-7V-BENZYL-2- (BENYLOXYCARBONYLAMINO)-S-METHOXYPROPIONAMIDE PLIVA HRVATSKA D.O.O. (HR) 2010-09-23 WO claimed
WO-2010107993-A2 PROCESS FOR PREPARING (R)-7V-BENZYL-2- (BENYLOXYCARBONYLAMINO)-S-METHOXYPROPIONAMIDE PLIVA HRVATSKA D.O.O. (HR) 2010-09-23 WO disclosed