SCHEMBL8068285

SCHEMBL8068285

CCCCCCCCCCCCSC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC(CC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)SCCCCCCCCCCCC)(C(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 4/20 0.45
TSHR P16473 4/20 0.45
LMNA P02545 4/20 0.45
MAPK1 P28482 3/20 0.45
MEN1 O00255 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
BLM P54132 2/20 0.45
ATM Q13315 2/20 0.45
HIF1A Q16665 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GMNN O75496 1/20 0.45
GABBR2 O75899 1/20 0.45
TP53 P04637 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
PMP22 Q01453 1/20 0.45

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
SCHEMBL549451 0.81 KMT2A (0.39) ALDH1A1KMT2ATSHRLMNAMAPK1
SCHEMBL1514284 0.81 KMT2A (0.41) ALDH1A1KMT2ATSHRLMNAMAPK1
SCHEMBL462662 0.76 ALDH1A1 (0.49) ALDH1A1KMT2ATSHRLMNAMAPK1
SCHEMBL578530 0.76 KMT2A (0.39) ALDH1A1KMT2ATSHRLMNAMAPK1
SCHEMBL466132 0.76 KMT2A (0.39) ALDH1A1KMT2ATSHRLMNAMAPK1
SCHEMBL28540635 0.76 KMT2A (0.39) ALDH1A1KMT2ATSHRLMNAMAPK1
SCHEMBL6017070 0.75 KMT2A (0.38) ALDH1A1KMT2ATSHRLMNAMAPK1
SCHEMBL17627921 0.74 KMT2A (0.37) ALDH1A1KMT2ATSHRLMNAMAPK1
SCHEMBL39424 0.74 KMT2A (0.37) ALDH1A1KMT2ATSHRLMNAMAPK1
SCHEMBL8015097 0.74 ESR1 (0.42) ALDH1A1KMT2ATSHRLMNAMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748346-B1 INCREASING THE MOLECULAR WEIGHT OF POLYESTERS CIBA SC HOLDING AG (CH) 2000-08-23 EP disclosed
EP-0748346-A1 INCREASING THE MOLECULAR WEIGHT OF POLYESTERS Ciba SC Holding AG (CH) 1996-12-18 EP disclosed
WO-1995023176-A1 INCREASING THE MOLECULAR WEIGHT OF POLYESTERS CIBA-GEIGY AG (CH) 1995-08-31 WO disclosed