SCHEMBL10364150

SCHEMBL10364150

C=CC(=O)NCCCCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.51
▸ ALDH1A1 P00352 6/20 0.47
▸ TGM2 P21980 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ PRSS1 P07477 4/20 0.45
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ APEX1 P27695 1/20 0.42

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
SCHEMBL10362336 0.91 RAB9A (0.48) RAB9AALDH1A1TGM2KDM4ETDP1
SCHEMBL10808998 0.91 RAB9A (0.53) RAB9AALDH1A1TGM2TDP1CYP1A2
SCHEMBL10363741 0.87 RAB9A (0.50) RAB9AALDH1A1TGM2TDP1CYP2D6
SCHEMBL10364053 0.87 S1PR4 (0.47) RAB9AALDH1A1KDM4ETDP1HTT
SCHEMBL10364064 0.87 RAB9A (0.68) RAB9AALDH1A1TGM2TDP1CYP1A2
SCHEMBL10364059 0.87 RAB9A (0.53) RAB9AALDH1A1TGM2KDM4ETDP1
SCHEMBL10803038 0.86 RAB9A (0.49) RAB9AALDH1A1TGM2KDM4ETDP1
SCHEMBL10807189 0.86 ALDH1A1 (0.46) RAB9AALDH1A1TGM2KDM4ETDP1
SCHEMBL10363305 0.86 RAB9A (0.52) RAB9AALDH1A1TGM2HTTCYP1A2
SCHEMBL10362575 0.86 RAB9A (0.48) RAB9AALDH1A1TGM2TDP1CYP1A2

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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