SCHEMBL8338666

SCHEMBL8338666

CC(C)NC(=O)OCC(=O)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HAO1 Q9UJM8 1/20 0.53
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
KMT2A Q03164 1/20 0.52
RELA Q04206 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
POLB P06746 1/20 0.51
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC1 Q13547 1/20 0.46
BCL2L1 Q07817 2/20 0.43
MCL1 Q07820 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
SCHEMBL11754496 0.82 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2HAO1LMNA
SCHEMBL28606431 0.79 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2HAO1LMNA
SCHEMBL8340977 0.79 NPC1 (0.54) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL8341523 0.77 L3MBTL1 (0.49) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL8335416 0.77 KDM4E (0.47) ALDH1A1LMNAKDM4EKMT2APOLB
SCHEMBL8341968 0.77 NPC1 (0.51) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL8338985 0.76 ESR2 (0.56) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL27316749 0.75 HDAC8 (0.62) ALDH1A1MAPTHAO1LMNAHDAC8
SCHEMBL8339223 0.75 MAPT (0.51) ALDH1A1MAPTSMN1; SMN2HAO1LMNA
SCHEMBL11567237 0.75 HAO1 (0.66) ALDH1A1MAPTSMN1; SMN2HAO1LMNA

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
US-5968975-A TREATING ATHEROSCLEROSIS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-19 US disclosed
WO-1998057925-A1 ELEVATION OF HDL CHOLESTEROL BY 2-[(AMINOTHIOXOMETHYL)-HYDRAZONO]-2-ARYLETHYL CARBAMATES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-12-23 WO disclosed