SCHEMBL7899313

SCHEMBL7899313

[Cd].c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
HPGD P15428 1/20 0.65
ALOX15 P16050 1/20 0.65
ALOX12 P18054 1/20 0.65
CASP1 P29466 1/20 0.65
HSD17B10 Q99714 1/20 0.65
MAOA P21397 4/20 0.63
MAOB P27338 3/20 0.63
TDP1 Q9NUW8 2/20 0.61
TAAR1 Q96RJ0 2/20 0.61
CYP2A6 P11509 1/20 0.61
HTR2A P28223 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
LOXL2 Q9Y4K0 1/20 0.61
KCNH2 Q12809 1/20 0.57
CALM1 P0DP23 1/20 0.56
FFAR1 O14842 1/20 0.55
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL62125 0.96 ALDH1A1 (0.69) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL9741303 0.96 ALDH1A1 (0.69) ALDH1A1HPGDALOX15ALOX12CASP1
Benzene SCHEMBL3440179 0.96 ALDH1A1 (0.69) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL11747668 0.92 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL1793454 0.92 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL25402413 0.92 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL3759913 0.92 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
Hydrogen Sulfide SCHEMBL5468201 0.92 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
Hydrogen Sulfide SCHEMBL7592179 0.92 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL742615 0.92 ALDH1A1 (0.65) ALDH1A1HPGDALOX15ALOX12CASP1

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-6211043-B1 THERMAL DECOMPOSITION OF A METAL ORGANIC COMPOUND AND A SOLAR CELL USING THE ABOVE THIN FILM, METAL SULFIDE THIN FILMS OF HIGH PURITY, DENSITY AND QUALITY FOR PHOTOELECTRIC DEVICES OR SOLARCELLS MATSUSHITA BATTERY INDUSTRIAL CO., LTD. (JP) 2001-04-03 US disclosed