SCHEMBL22115348

SCHEMBL22115348

COCCCC(NC(C)=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
PTGS2 P35354 1/20 0.50
THPO P40225 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
GNPAT O15228 2/20 0.49
ALDH1A1 P00352 2/20 0.48
FOLH1 Q04609 4/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 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
SCHEMBL468784 0.89 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL19339927 0.85 FOLH1 (0.40) GNPATALDH1A1FOLH1NOD1TGFBR1
SCHEMBL16745724 0.84 GNPAT (0.62) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL526519 0.80 MAPT (0.57) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL993144 0.80 MAPT (0.57) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL1694958 0.80 MAPT (0.57) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL137690 0.79 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064031 0.79 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL243250 0.79 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL15691994 0.77 FOLH1 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020123836-A2 HERBOXIDIENE SPLICING MODULATOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-06-18 WO disclosed