SCHEMBL5529798

SCHEMBL5529798

CCOCCOC(COCCO)OC(C)OCC

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.34
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 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
SCHEMBL5529780 0.95 ALDH1A1 (0.42) ALDH1A1LMNA
SCHEMBL5529790 0.84 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATHRBHTT
SCHEMBL5529786 0.81 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ATHRBHTT
Diethylene Glycol Monoethyl Ether SCHEMBL2952919 0.79 ALDH1A1 (0.61) ALDH1A1LMNAMEN1KMT2ATHRB
SCHEMBL27167532 0.75 ALDH1A1 (0.48) ALDH1A1LMNAMEN1KMT2ATHRB
SCHEMBL5275388 0.75 LMNA (0.52) ALDH1A1LMNAMEN1KMT2ATHRB
SCHEMBL28597541 0.75 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ATHRBHTT
SCHEMBL8865873 0.74 ALDH1A1 (0.52) ALDH1A1LMNAMEN1KMT2ATHRB
Di(Hydroxyethyl)Ether SCHEMBL10711395 0.72 LMNA (0.60) ALDH1A1LMNAMEN1KMT2ATHRB
SCHEMBL14997584 0.72 TSHR (0.43) ALDH1A1MEN1KMT2A

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