SCHEMBL9253281

SCHEMBL9253281

CCCC(O)N(CC)c1ccc(N)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.54
SKP2 Q13309 1/20 0.38
ESR1 P03372 2/20 0.37
AR P10275 1/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 4/20 0.35
TDP1 Q9NUW8 4/20 0.35
TSHR P16473 2/20 0.35
S1PR1 P21453 4/20 0.33
IGLV6-57 P01721 1/20 0.33
CRHR1 P34998 2/20 0.32
APAF1 O14727 1/20 0.32
AOC3 Q16853 1/20 0.32
GAA P10253 1/20 0.31
RAD52 P43351 1/20 0.31
RECQL P46063 2/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL9257769 0.88 S100B (0.57) S100BSKP2ESR1ARESR2
SCHEMBL11114625 0.83 S100B (0.59) S100BSKP2ESR1ARESR2
SCHEMBL793451 0.83 S100B (0.59) S100BSKP2ESR1ARESR2
SCHEMBL6652302 0.82 S100B (0.51) S100BSKP2ESR1ARESR2
Hydrochloric Acid SCHEMBL11575193 0.81 S100B (0.57) S100BSKP2ESR1ARESR2
Sulfuric Acid SCHEMBL9224591 0.81 S100B (0.50) S100BSKP2ESR1ARESR2
SCHEMBL10798964 0.79 S100B (0.62) S100BSKP2ESR1ARESR2
Hydrochloric Acid SCHEMBL8385619 0.78 S100B (0.61) S100BSKP2ESR1ARESR2
SCHEMBL8983637 0.78 S100B (0.61) S100BSKP2ESR1ARESR2
SCHEMBL14611743 0.77 S100B (0.51) S100BSKP2ESR1ARESR2

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
US-5432583-A Replenisher supplying method and replenisher supplying apparatus FUJI PHOTO FILM CO., LTD. (JP) 1995-07-11 US disclosed
US-5397689-A Hydroquinone compound to prevent fogging, fading and color mixing with good solubility and preservability FUJI PHOTO FILM CO., LTD. (JP) 1995-03-14 US disclosed