SCHEMBL10508708

SCHEMBL10508708

C=C(Cl)C(=O)NCCCCOCC1CO1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
EPHX2 P34913 6/20 0.34
SPHK1 Q9NYA1 6/20 0.34

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
SCHEMBL10506240 0.88 TSHR (0.62) TSHRALDH1A1TDP1SMN1; SMN2TP53
SCHEMBL183822 0.86 TSHR (0.51) TSHRALDH1A1TDP1SMN1; SMN2TP53
SCHEMBL28313658 0.84 ALDH1A1 (0.50) TSHRALDH1A1TDP1SMN1; SMN2TP53
SCHEMBL28312829 0.84 ALDH1A1 (0.50) TSHRALDH1A1TDP1SMN1; SMN2TP53
SCHEMBL183721 0.81 TSHR (0.49) TSHRALDH1A1TDP1SMN1; SMN2TP53
SCHEMBL10506587 0.81 TSHR (0.56) TSHRALDH1A1TDP1SMN1; SMN2TP53
SCHEMBL10506509 0.80 TSHR (0.60) TSHRALDH1A1TDP1SMN1; SMN2TP53
SCHEMBL10508554 0.79 TSHR (0.58) TSHRALDH1A1TDP1SMN1; SMN2TP53
SCHEMBL10972557 0.79 TSHR (0.58) TSHRALDH1A1TDP1SMN1; SMN2TP53
SCHEMBL10509287 0.78 TSHR (0.53) TSHRALDH1A1TDP1SMN1; SMN2TP53

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-0155810-B1 N-(OMEGA-GLYCIDOXYALKYL)-SUBSTITUTED AMIDE COMPOUNDS AND PREPARATION PROCESS THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-07-05 EP disclosed
EP-0155810-A2 N-(omega-glycidoxyalkyl)-substituted amide compounds and preparation process thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-09-25 EP disclosed