SCHEMBL9515535

SCHEMBL9515535

CCOC(=O)C(CC1COCCOCCOCCO1)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TSHR P16473 2/20 0.40
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.34
POLB P06746 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
SCHEMBL30707261 0.85 ALDH1A1 (0.39) ALDH1A1L3MBTL1RAB9ALMNAMAPT
SCHEMBL20543639 0.78 ALDH1A1 (0.39) ALDH1A1L3MBTL1TSHRRAB9ALMNA
SCHEMBL11531232 0.78 LMNA (0.45) ALDH1A1TSHRRAB9ALMNAMAPT
SCHEMBL9510197 0.77 ALDH1A1 (0.40) ALDH1A1L3MBTL1RAB9ALMNAMAPT
SCHEMBL1965496 0.76 ALDH1A1 (0.44) ALDH1A1L3MBTL1TSHRRAB9ALMNA
Ethyl Acetate SCHEMBL9737551 0.73 ALDH1A1 (0.45) ALDH1A1L3MBTL1TSHRRAB9ALMNA
SCHEMBL25075052 0.73 ALDH1A1 (0.37) ALDH1A1TSHRRAB9ALMNAMAPT
SCHEMBL16768106 0.72 ALDH1A1 (0.39) ALDH1A1L3MBTL1TSHRRAB9ALMNA
SCHEMBL27617691 0.72 ALDH1A1 (0.39) ALDH1A1L3MBTL1TSHRKMT2ANPSR1
SCHEMBL25075051 0.72 HRH3 (0.38) ALDH1A1TSHRRAB9ALMNAMAPT

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
EP-0341409-B1 Platinum (II) complexes, their preparation and use as antitumour agents BOEHRINGER MANNHEIM ITALIA (IT) 1993-12-29 EP disclosed