SCHEMBL7003035

SCHEMBL7003035

CCCCCCCCCCCCC(S)COC(=O)C(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)C(=O)OCC(S)CCCCCCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
ATM Q13315 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
BLM P54132 2/20 0.39
HIF1A Q16665 2/20 0.39
USP2 O75604 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 3/20 0.37
GMNN O75496 1/20 0.37
GABBR2 O75899 1/20 0.37
TP53 P04637 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL675594 0.82 ESR1 (0.45) KMT2AATMNPSR1ALDH1A1TSHR
SCHEMBL11311947 0.82 ESR1 (0.45) KMT2AATMNPSR1ALDH1A1TSHR
SCHEMBL6287047 0.82 ESR1 (0.45) KMT2AATMNPSR1ALDH1A1TSHR
SCHEMBL8954559 0.81 KMT2A (0.39) KMT2AATMNPSR1ALDH1A1TSHR
SCHEMBL4592121 0.81 ESR1 (0.38) KMT2AATMNPSR1ALDH1A1TSHR
SCHEMBL4592118 0.80 ESR1 (0.40) KMT2AATMNPSR1ALDH1A1TSHR
SCHEMBL2683898 0.77 GAA (0.38) KMT2AATMNPSR1ALDH1A1TSHR
SCHEMBL8015097 0.77 ESR1 (0.42) KMT2AATMNPSR1ALDH1A1TSHR
SCHEMBL17627921 0.77 KMT2A (0.37) KMT2AATMNPSR1ALDH1A1TSHR
SCHEMBL39424 0.77 KMT2A (0.37) KMT2AATMNPSR1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282630-A1 HYDROXYLAMINE ESTERS AS POLYMERIZATION INITIATORS Ciba SC Holding AG (CH) 2003-02-12 EP disclosed
WO-2001090113-A1 HYDROXYLAMINE ESTERS AS POLYMERIZATION INITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-11-29 WO disclosed