SCHEMBL7942559

SCHEMBL7942559

CCC(CO)OCc1ccc(OC)c(C(C)(C)C)c1.COc1c(COCCCCO)cccc1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL7942562 0.86 HTR1A (0.31)
SCHEMBL8400777 0.81 ALDH1A1 (0.40) KMT2AALDH1A1
SCHEMBL8400748 0.80 ALDH1A1 (0.36) ALDH1A1
SCHEMBL8401509 0.76 ALDH1A1 (0.36) ALDH1A1
SCHEMBL7943125 0.71 ALDH1A1 (0.43) ALDH1A1
SCHEMBL7943166 0.69 ALDH1A1 (0.42) KMT2AALDH1A1
SCHEMBL7941404 0.69 ALDH1A1 (0.43) KMT2AALDH1A1
SCHEMBL7941333 0.69 F2R (0.33) ALDH1A1
SCHEMBL7933929 0.67 DHFR (0.37) HTTKMT2AALDH1A1
SCHEMBL7933794 0.66 CA2 (0.46) ALDH1A1

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-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed