SCHEMBL9641093

SCHEMBL9641093

CC1(C)CC(=O)CC(=O)C1.O=[N+]([O-])c1ccccc1I

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TDP1 Q9NUW8 6/20 0.41
▸ MAPT P10636 4/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ KMT2A Q03164 7/20 0.36
▸ RECQL P46063 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ LMNA P02545 1/20 0.34

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
SCHEMBL10379315 0.82 HSD17B10 (0.41) ALDH1A1TDP1MAPTHSD17B10KMT2A
SCHEMBL9641590 0.80 PTPRC (0.40) ALDH1A1TDP1MAPTHSD17B10KMT2A
SCHEMBL9641567 0.79 ALDH1A1 (0.42) ALDH1A1TDP1MAPTGAAHSD17B10
SCHEMBL25105 0.78 HSD17B10 (0.54) ALDH1A1HPGDTDP1MAPK1L3MBTL1
SCHEMBL10379786 0.78 HSD17B10 (0.54) ALDH1A1HPGDTDP1MAPK1L3MBTL1
SCHEMBL28554564 0.78 HSD17B10 (0.54) ALDH1A1HPGDTDP1MAPK1L3MBTL1
SCHEMBL9640741 0.78 HSD17B10 (0.39) ALDH1A1KDM4EHPGDTDP1MAPT
Barbituric Acid SCHEMBL9641923 0.74 XDH (0.43) ALDH1A1KDM4ETDP1MAPTHSD17B10
SCHEMBL9641954 0.73 ALDH1A1 (0.37) ALDH1A1TDP1MAPTHSD17B10KMT2A
SCHEMBL9641571 0.72 HSD17B10 (0.41) ALDH1A1TDP1MAPTHSD17B10KMT2A

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-5106407-A Algicides, funcilides, bactericides THE DOW CHEMICAL COMPANY (US) 1992-04-21 — — US disclosed
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