SCHEMBL8280220

SCHEMBL8280220

C=C(C)c1oc(C)nc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 0.40
MAPT P10636 6/20 0.39
ALDH1A1 P00352 8/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.37
POLB P06746 5/20 0.37
USP2 O75604 4/20 0.37
LMNA P02545 4/20 0.37
HTT P42858 3/20 0.37
TSHR P16473 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
ALOX15 P16050 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL210291 0.78 HSD17B10 (0.50) HSD17B10MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL286999 0.75 HSD17B10 (0.47) HSD17B10MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL27432878 0.75 HSD17B10 (0.47) HSD17B10MAPTALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL10496189 0.73 HSD17B10 (0.46) HSD17B10MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL540823 0.71 ALDH1A1 (0.45) HSD17B10MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL114334 0.71 MAPT (0.44) HSD17B10MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL8615319 0.69 HSD17B10 (0.43) HSD17B10MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL8613502 0.69 ALDH1A1 (0.43) HSD17B10MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL8829451 0.69 ALDH1A1 (0.41) HSD17B10MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL8616481 0.68 HSD17B10 (0.37) HSD17B10MAPTALDH1A1HPGDSMN1; SMN2

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-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO disclosed