SCHEMBL10364129

SCHEMBL10364129

C=CC(=O)NCCCCOc1cc(OC)ccc1C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ LMNA P02545 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ PGR P06401 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ PDE4A P27815 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ MTNR1B P49286 5/20 0.46
▸ MTNR1A P48039 3/20 0.46
▸ MAPT P10636 4/20 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
SCHEMBL10809320 0.90 GAA (0.45) POLBLMNAHTTALDH1A1CYP1A2
SCHEMBL10801823 0.89 ZDHHC2 (0.48) ALDH1A1LSSTGM2
SCHEMBL10363995 0.88 LMNA (0.53) POLBLMNAMAPK1HTTALDH1A1
SCHEMBL10801924 0.85 LSS (0.47) ALDH1A1NPC1MAPTLSSMEN1
SCHEMBL10363212 0.85 TGM2 (0.49) KDM4ELMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL10805230 0.83 TGM2 (0.42) KDM4EALDH1A1NPC1MTNR1BMTNR1A
SCHEMBL10364058 0.81 PPARA (0.58) KDM4ELMNAMAPK1HTTALDH1A1
SCHEMBL5578338 0.79 POLB (0.65) POLBKDM4ELMNAMAPK1HTT
SCHEMBL1114933 0.78 POLB (0.64) POLBKDM4ELMNAMAPK1HTT
SCHEMBL10364003 0.78 MTNR1A (0.59) KDM4ELMNAMAPK1ALDH1A1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0155177-B1 UNSATURATED CYCLIC AMIDO-SUBSTITUTED ETHER COMPOUNDS AND PREPARATION PROCESS THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-10-31 — — EP disclosed
US-4649219-A CROSSLINKERS, ADHESIVES, PAINTS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1987-03-10 — — US disclosed
EP-0155177-A2 Unsaturated cyclic amido-substituted ether compounds and preparation process thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-09-18 — — EP disclosed
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