SCHEMBL9736798

SCHEMBL9736798

CCNOCCOCCO

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.48
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.46
APP P05067 2/20 0.35
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CASP1 P29466 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32

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
SCHEMBL243710 0.85
SCHEMBL6566822 0.80 ALDH1A1 (0.38) TSHRTHRBALDH1A1
SCHEMBL6565719 0.80 ALDH1A1 (0.38) TSHRTHRBALDH1A1
SCHEMBL455723 0.79 TP53 (0.31)
SCHEMBL3179591 0.79 TSHR (0.56) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL28758057 0.78 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL8617456 0.78 CA2 (0.36)
SCHEMBL6567270 0.77
SCHEMBL28459382 0.77
Sulfuric Acid SCHEMBL17673144 0.76 ALDH1A1 (0.35) TSHRALDH1A1

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-5171460-A Using phosphonomethylated oxyalkyleneamines; ph control ATLANTIC RICHFIELD COMPANY (US) 1992-12-15 US disclosed