SCHEMBL28892176

SCHEMBL28892176

Nc1ccc(C(=O)Oc2ccccc2C=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
KMT2A Q03164 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46
SRC P12931 1/20 0.45
NPC1 O15118 3/20 0.44
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
JAK2 O60674 1/20 0.44
USP2 O75604 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX15 P16050 1/20 0.44
ESR2 Q92731 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PRSS1 P07477 4/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL6374160 0.86 KMT2A (0.61) PTGDR2KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL29617334 0.86 KMT2A (0.55) KMT2ASMN1; SMN2MAPTNPC1GAA
SCHEMBL3269041 0.85 ESR1 (0.49) PTGDR2KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL14645912 0.83 ESR1 (0.59) PTGDR2KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL13292734 0.81 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2MAPTNPC1GAA
SCHEMBL2879378 0.81 ESR1 (0.60) KMT2ASMN1; SMN2MAPTNPC1GAA
SCHEMBL1682303 0.80 POLB (0.56) PTGDR2KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL8009090 0.80 ELANE (0.54) PTGDR2KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL10689859 0.78 MAPT (0.58) KMT2ASMN1; SMN2MAPTALDH1A1HTT
SCHEMBL28632573 0.77 MAPT (0.62) PTGDR2KMT2ASMN1; SMN2MAPTALDH1A1

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
CN-111348666-A Preparation method of corrosion inhibitor composite anion intercalation hydrotalcite 中国船舶重工集团公司第七二五研究所 2020-06-30 CN disclosed