SCHEMBL6986221

SCHEMBL6986221

COC(=O)[C@H](NC(C)=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
PTGS2 P35354 1/20 0.40
THPO P40225 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.34
MME P08473 2/20 0.33
TGFBR1 P36897 1/20 0.32
CA14 Q9ULX7 2/20 0.32
LMNA P02545 1/20 0.32
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31

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
SCHEMBL17483032 1.00 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL1471075 0.87 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL4961544 0.83 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL11487898 0.82 KDM4E (0.38) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL143910 0.82 KDM4E (0.48) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL6261013 0.80 KDM4E (0.36) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL706882 0.80 LMNA (0.49) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL9614381 0.79 KDM4E (0.46) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL7947980 0.79 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL28073505 0.79 KMT2A (0.36) SMN1; SMN2KDM4EMAPTTHRBALOX15

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-1268422-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES Bayer Aktiengesellschaft (DE) 2003-01-02 EP disclosed
WO-2001070687-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-27 WO disclosed