SCHEMBL10506261

SCHEMBL10506261

O=C(NCCCCOCC1CO1)c1cccc(C(=O)NCCCCOCC2CO2)c1OCCCCOCC1CO1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.45
▸ HPGD P15428 4/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ HCRTR1 O43613 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL10510137 0.93 HPGD (0.46) TSHRHPGDALOX5HCRTR1HTT
SCHEMBL10508892 0.92 TSHR (0.47) TSHRHPGDALOX5HCRTR1HTT
SCHEMBL10509426 0.90 TSHR (0.50) TSHRHPGDALOX5HCRTR1HTT
SCHEMBL10506059 0.89 TSHR (0.46) TSHRHPGDALOX5HCRTR1HTT
SCHEMBL10506080 0.88 HPGD (0.47) TSHRHPGDALOX5HCRTR1HTT
SCHEMBL10506672 0.88 TSHR (0.45) TSHRHPGDALOX5HCRTR1HTT
SCHEMBL10508809 0.87 TSHR (0.42) TSHRHPGDALOX5HCRTR1HTT
SCHEMBL10507470 0.86 HCRTR1 (0.56) TSHRHPGDHCRTR1HTTALDH1A1
SCHEMBL10509274 0.86 HCRTR1 (0.44) TSHRHPGDALOX5HCRTR1HTT
SCHEMBL10507554 0.85 TSHR (0.40) TSHRHPGDALOX5HCRTR1HTT

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
Send feedback