SCHEMBL31199237

SCHEMBL31199237

O=C1c2cc(Cl)ccc2C(=O)C2CC(Cl)=CCC12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.42
POLB P06746 4/20 0.42
ALDH1A1 P00352 4/20 0.42
RECQL P46063 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
HPGD P15428 1/20 0.42
BLM P54132 1/20 0.42
S100A4 P26447 2/20 0.40
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PPOX P50336 1/20 0.37
ALOX12 P18054 1/20 0.37
APEX1 P27695 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
METAP1 P53582 1/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 3/20 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
SCHEMBL31199239 0.84 S100A4 (0.38) S100A4PPOXMETAP1RAB9A
SCHEMBL9164065 0.81 S100A4 (0.47) ALDH1A1KMT2AS100A4PPOXMETAP1
SCHEMBL31199227 0.81 S100A4 (0.47) ALDH1A1KMT2AS100A4PPOXMETAP1
SCHEMBL30230228 0.81 METAP1 (0.37) KMT2AMEN1S100A4PPOXMETAP1
SCHEMBL31199235 0.79 METAP1 (0.36) ALDH1A1KMT2AMEN1S100A4PPOX
SCHEMBL31199232 0.74 S100A4 (0.52) ALDH1A1S100A4HSD17B10PPOXMETAP1
SCHEMBL10519579 0.72 ALDH1A1 (0.45) TDP1POLBALDH1A1RECQLKMT2A
SCHEMBL9641853 0.69 S100A4 (0.56) S100A4PPOXMETAP1RAB9A
SCHEMBL10521179 0.68 ALDH1A1 (0.41) TDP1POLBALDH1A1RECQLKMT2A
SCHEMBL31199224 0.68 ACHE (0.42) TDP1POLBALDH1A1KMT2AMEN1

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-20240380007-A1 ANTHRAQUINONE COMPOUND-CONTAINING NON-AQUEOUS ELECTROLYTE SOLUTION AND SECONDARY BATTERY INCLUDING THE SAME AIR WATER PERFORMANCE CHEMICAL INC. (JP) 2024-11-14 US disclosed