SCHEMBL8533950

SCHEMBL8533950

CC(=O)C(CC(=O)c1ccc(C2CCCCC2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
HAO1 Q9UJM8 1/20 0.46
BCL2L1 Q07817 2/20 0.45
MCL1 Q07820 2/20 0.45
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
APAF1 O14727 1/20 0.42
PGR P06401 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAD52 P43351 1/20 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
SCHEMBL8535820 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL27533957 0.74 BCL2L1 (0.40) ALDH1A1SMN1; SMN2MAPTHAO1BCL2L1
SCHEMBL14966754 0.73 HDAC8 (0.51) ALDH1A1SMN1; SMN2MAPTHAO1LMNA
SCHEMBL11754496 0.72 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTHAO1BCL2L1
SCHEMBL8535121 0.70 ADRB2 (0.45) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL27832625 0.70 HAO1 (0.64) ALDH1A1SMN1; SMN2MAPTHAO1BCL2L1
SCHEMBL9788805 0.70 HAO1 (0.64) ALDH1A1SMN1; SMN2MAPTHAO1BCL2L1
SCHEMBL2550435 0.70 HAO1 (0.64) ALDH1A1SMN1; SMN2MAPTHAO1BCL2L1
SCHEMBL1278464 0.70 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTHAO1BCL2L1
SCHEMBL30089520 0.70 HAO1 (0.68) ALDH1A1SMN1; SMN2MAPTHAO1BCL2L1

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
CN-1216522-A Therapeutic agent for diabetes JAPAN TOBACCO INC (JP) 1999-05-12 CN disclosed
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed