SCHEMBL6554359

SCHEMBL6554359

COc1ccccc1OC(OC(N)=O)C(C)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.42
CTSD P07339 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 2/20 0.39

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
SCHEMBL4757451 0.84 KMT2A (0.56) KMT2ASMN1; SMN2KDM4ELMNACYP1A2
SCHEMBL514006 0.78 KMT2A (0.50) KMT2ASMN1; SMN2KDM4ELMNACYP1A2
SCHEMBL14783846 0.74 KMT2A (0.73) KMT2ASMN1; SMN2KDM4ELMNACYP1A2
SCHEMBL6256715 0.74 KMT2A (0.53) KMT2ASMN1; SMN2KDM4ELMNACYP1A2
SCHEMBL28126486 0.73 KMT2A (0.56) KMT2ASMN1; SMN2KDM4ELMNACYP1A2
SCHEMBL516163 0.73 KMT2A (0.60) KMT2ALMNACYP1A2MTNR1AMTNR1B
Phosphoric Acid SCHEMBL16816947 0.73 KMT2A (0.56) KMT2ASMN1; SMN2KDM4ELMNACYP1A2
1,2-Dimethoxybenzene SCHEMBL27898360 0.72 CA1 (0.72) KMT2ASMN1; SMN2KDM4ELMNAMTNR1A
1,2-Dimethoxybenzene SCHEMBL28118612 0.72 CA1 (0.72) KMT2ASMN1; SMN2KDM4ELMNACYP1A2
SCHEMBL27991552 0.72 KMT2A (0.59) KMT2ASMN1; SMN2KDM4ELMNACYP1A2

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-1391458-A2 Novel method for producing 5-aryloxymethyl-2-oxazolidinones Yung Shin Pharm. Ind. Co. Ltd. (TW) 2004-02-25 EP disclosed