SCHEMBL5529786

SCHEMBL5529786

CCOCCOCC(OCCO)OCCOCC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 3/20 0.34
THRB P10828 2/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5529790 0.96 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATSHRTHRB
SCHEMBL28597541 0.85 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ATSHRTHRB
SCHEMBL9363446 0.85 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ATSHRTHRB
SCHEMBL28057501 0.85 MEN1 (0.52) ALDH1A1MEN1KMT2ATSHRTHRB
SCHEMBL5529780 0.82 ALDH1A1 (0.42) ALDH1A1
SCHEMBL11026183 0.82 TSHR (0.47) ALDH1A1MEN1KMT2ATSHRTHRB
SCHEMBL11792372 0.82 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATSHRTHRB
SCHEMBL27167532 0.81 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ATSHRTHRB
SCHEMBL5529798 0.81 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ATHRBHTT
SCHEMBL8865873 0.80 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ATSHRTHRB

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-7261404-B2 Process for printing using aqueous ink composition CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-08-28 US disclosed