SCHEMBL9080392

SCHEMBL9080392

CCCCCCCC(=O)c1ccccc1C(C)=O.[Zn]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
HSD17B3 P37058 6/20 0.49
CES2 O00748 3/20 0.47
TSHR P16473 2/20 0.47
CES1 P23141 2/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL98358 0.98 HTT (0.53) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL599569 0.98 HTT (0.53) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL6552351 0.98 HTT (0.53) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL878501 0.98 HTT (0.53) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL875305 0.98 HTT (0.53) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL2874819 0.98 HTT (0.53) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL7762871 0.98 HTT (0.53) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL599773 0.98 HTT (0.53) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL98958 0.98 HTT (0.53) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL4828359 0.96 HTT (0.51) HTTALDH1A1MAPTMEN1KMT2A

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
US-5519076-A REACTION PRODUCT OF OVERBASED ALKALINE EARTH METAL COMPLEXES AND A POLYBASIC CARBOXYLIC ANHYDRIDE NISSAN FERRO ORGANIC CHEMICAL CO, LTD. (JP) 1996-05-21 US disclosed