SCHEMBL10508809

SCHEMBL10508809

O=C(NCCCCOCC1CO1)c1ccc(OCCCCOCC2CO2)c(OCCCCOCC2CO2)c1OCCCCOCC1CO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.42
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 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
SCHEMBL10508892 0.94 TSHR (0.47) TSHRMEN1KMT2ARAB9AHCRTR1
SCHEMBL10507883 0.91 TSHR (0.40) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL10507554 0.91 TSHR (0.40) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL10510137 0.90 HPGD (0.46) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL10506261 0.87 TSHR (0.45) TSHRNPC1RAB9AHCRTR1HPGD
SCHEMBL10507470 0.83 HCRTR1 (0.56) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL10506333 0.83 HPGD (0.44) TSHRNPC1RAB9AHCRTR1HPGD
SCHEMBL10508733 0.82 ALDH1A1 (0.44) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL10509426 0.81 TSHR (0.50) TSHRKMT2AHCRTR1HPGDALDH1A1
SCHEMBL10510261 0.81 TSHR (0.53) TSHRRAB9AHCRTR1HPGDALDH1A1

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
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