SCHEMBL11322757

SCHEMBL11322757

CCOCCOC(COc1ccccc1)CC1CO1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
ADRA1A P35348 3/20 0.35
HTR1A P08908 2/20 0.35
ADRA1D P25100 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HIF1A Q16665 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PLA2G2A P14555 1/20 0.34
MAOA P21397 1/20 0.33
PTGS1 P23219 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
SCHEMBL11335733 0.88 TDP1 (0.50) TDP1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11322753 0.80 TDP1 (0.44) TDP1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11332347 0.75 SMN1; SMN2 (0.49) TDP1SMN1; SMN2TSHRALDH1A1
SCHEMBL11335740 0.72 TDP1 (0.51) TDP1MEN1KMT2ASMN1; SMN2ADRA1A
SCHEMBL11336672 0.72 HTT (0.40) MEN1KMT2ATSHR
SCHEMBL11181589 0.71 TSHR (0.49) TDP1MEN1KMT2ASMN1; SMN2LMNA
Ether SCHEMBL8459075 0.71 TDP1 (0.79) TDP1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11660769 0.70 TDP1 (0.57) TDP1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL28825363 0.70 TDP1 (0.47) TDP1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL11047634 0.70 TDP1 (0.56) TDP1KMT2ASMN1; SMN2LMNATSHR

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-4259236-A COLORFAST RED SHADES ON POLYESTERS CIBA-GEIGY CORPORATION (US) 1981-03-31 US disclosed