SCHEMBL8780939

SCHEMBL8780939

CC(C)CC1CCC(C2=C(O)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
TP53 P04637 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.46
APAF1 O14727 1/20 0.42
TDP2 O95551 1/20 0.42
CDC25B P30305 3/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
DHODH Q02127 3/20 0.39
POLB P06746 1/20 0.37
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35

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
SCHEMBL8136452 0.83 MAPT (0.51) MAPTTP53MEN1KMT2AUSP2
SCHEMBL9857346 0.78 APAF1 (0.54) MAPTTP53MEN1KMT2AUSP2
SCHEMBL9857552 0.77 MAPT (0.62) MAPTTP53MEN1KMT2AUSP2
SCHEMBL1152475 0.77 MAPT (0.51) MAPTTP53MEN1KMT2AUSP2
SCHEMBL11121475 0.77 APAF1 (0.52) MAPTTP53MEN1KMT2AUSP2
SCHEMBL11116588 0.77 APAF1 (0.52) MAPTTP53MEN1KMT2AUSP2
SCHEMBL11120067 0.77 APAF1 (0.52) MAPTTP53MEN1KMT2AUSP2
Parvaquone SCHEMBL31326459 0.77 APAF1 (0.52) MAPTTP53MEN1KMT2AUSP2
Parvaquone SCHEMBL916441 0.77 APAF1 (0.52) MAPTTP53MEN1KMT2AUSP2
SCHEMBL10337067 0.77 MAPT (0.48) MAPTTP53MEN1KMT2AUSP2

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
EP-0802729-A1 PESTICIDAL COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1997-10-29 EP disclosed
WO-1996021354-A1 PESTICIDAL COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-07-18 WO disclosed