SCHEMBL11207502

SCHEMBL11207502

CCOC(=O)CN1CCOCCOCCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
ALDH1A1 P00352 3/20 0.58
POLB P06746 2/20 0.56
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 3/20 0.55
RAB9A P51151 2/20 0.55
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 2/20 0.53
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALOX15 P16050 1/20 0.48
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 2/20 0.46
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL2909869 0.98 TSHR (0.57) TSHRALDH1A1POLBLMNAL3MBTL1
SCHEMBL24653168 0.86 TSHR (0.53) TSHRALDH1A1POLBLMNAL3MBTL1
SCHEMBL20827819 0.86 TSHR (0.47) TSHRALDH1A1POLBLMNAL3MBTL1
SCHEMBL9643771 0.85 TSHR (0.65) TSHRALDH1A1POLBLMNAL3MBTL1
SCHEMBL8912811 0.84 MGAM (0.50) TSHRALDH1A1POLBLMNAKDM4E
SCHEMBL11852921 0.84
SCHEMBL2373233 0.84 MGAM (0.50) TSHRALDH1A1POLBLMNAKDM4E
SCHEMBL3966571 0.84 MGAM (0.50) TSHRALDH1A1POLBLMNAKDM4E
SCHEMBL13113224 0.84 POLB (0.55) TSHRALDH1A1POLBLMNAHSD17B10
SCHEMBL14305160 0.81 KDM4E (0.53) TSHRALDH1A1POLBLMNAL3MBTL1

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-0079920-A1 NEW AZA-CROWN-ETHERS AND THEIR USE. BORREGAARD IND (NO) 1983-06-01 EP disclosed
WO-1982004253-A1 NEW AZA-CROWN-ETHERS AND THEIR USE DALE JOHANNES 1982-12-09 WO disclosed