SCHEMBL10362575

SCHEMBL10362575

C=CC(=O)NCCCCOc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.48
▸ TGM2 P21980 5/20 0.47
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CYP19A1 P11511 3/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TYR P14679 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL10808998 0.91 RAB9A (0.53) RAB9ATGM2TSHRTDP1CYP19A1
SCHEMBL10362336 0.88 RAB9A (0.48) RAB9ATGM2TSHRTDP1CYP19A1
SCHEMBL10363305 0.86 RAB9A (0.52) RAB9ATGM2MAPTMEN1KMT2A
SCHEMBL10364150 0.86 RAB9A (0.51) RAB9ATGM2TDP1APEX1ALDH1A1
SCHEMBL10364059 0.85 RAB9A (0.53) RAB9ATGM2TDP1CYP19A1APEX1
SCHEMBL10364064 0.85 RAB9A (0.68) RAB9ATGM2TDP1MAPTMEN1
SCHEMBL10363741 0.85 RAB9A (0.50) RAB9ATGM2TSHRTDP1APEX1
SCHEMBL10803038 0.84 RAB9A (0.49) RAB9ATGM2TSHRTDP1CYP19A1
SCHEMBL10363126 0.83 TGM2 (0.46) TGM2GAATYR
SCHEMBL10362592 0.82 MAPT (0.55) RAB9ATGM2APEX1MAPTMEN1

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
Send feedback