SCHEMBL8523302

SCHEMBL8523302

CCCCN(CCCC)C(N)=S.CNC(N)=S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
ALDH2 P05091 1/20 0.47
CA12 O43570 6/20 0.44
CA1 P00915 6/20 0.44
CA9 Q16790 6/20 0.44
CA2 P00918 4/20 0.44
MGLL Q99685 1/20 0.37
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL15420 0.89 ALDH1A1 (0.56) ALDH1A1ALDH2CA12CA1CA9
SCHEMBL28483475 0.87 ALDH1A1 (0.54) ALDH1A1ALDH2CA12CA1CA9
SCHEMBL7197956 0.85 CA12 (0.43) ALDH1A1ALDH2CA12CA1CA9
SCHEMBL28495992 0.85 ALDH1A1 (0.52) ALDH1A1ALDH2CA12CA1CA9
SCHEMBL8901573 0.83 CA12 (0.57) ALDH1A1ALDH2CA12CA1CA9
SCHEMBL1101234 0.82 CA12 (0.58) ALDH1A1ALDH2CA12CA1CA9
SCHEMBL28929084 0.81 ALDH1A1 (0.48) ALDH1A1ALDH2CA12CA1CA9
SCHEMBL9666762 0.80 CA12 (0.59) ALDH1A1ALDH2CA12CA1CA9
SCHEMBL17956778 0.80 CA12 (0.61) ALDH1A1ALDH2CA12CA1CA9
SCHEMBL9665534 0.80 CA12 (0.61) ALDH1A1ALDH2CA12CA1CA9

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-5863989-A ACRYLATE-CONTAINING ADHESIVES, LOW ODOR, DURABILITY DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1999-01-26 US claimed