SCHEMBL10509274

SCHEMBL10509274

O=C(NCCCCOCC1CO1)c1cccc(OCCCCOCC2CO2)c1C(=O)NCCCCOCC1CO1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MTNR1A P48039 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ LMNA P02545 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
SCHEMBL10506059 0.92 TSHR (0.46) HCRTR1TSHRALDH1A1KMT2AHPGD
SCHEMBL10507470 0.90 HCRTR1 (0.56) HCRTR1TSHRALDH1A1MEN1KMT2A
SCHEMBL10510137 0.89 HPGD (0.46) HCRTR1TSHRALDH1A1MEN1KMT2A
SCHEMBL10506261 0.86 TSHR (0.45) HCRTR1TSHRALDH1A1HPGDADORA2A
SCHEMBL10509426 0.85 TSHR (0.50) HCRTR1TSHRALDH1A1KMT2AHPGD
SCHEMBL10507554 0.85 TSHR (0.40) HCRTR1TSHRALDH1A1MEN1KMT2A
SCHEMBL10509359 0.85 HCRTR1 (0.46) HCRTR1TSHRALDH1A1MEN1KMT2A
SCHEMBL10507883 0.85 TSHR (0.40) HCRTR1TSHRALDH1A1MEN1KMT2A
SCHEMBL10977226 0.85 ALDH1A1 (0.44) HCRTR1TSHRALDH1A1MEN1KMT2A
SCHEMBL10506672 0.83 TSHR (0.45) HCRTR1TSHRALDH1A1HPGDALOX5

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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