SCHEMBL10808998

SCHEMBL10808998

C=CC(=O)NCCCCOc1ccc([N+](=O)[O-])cc1OCCCCNC(=O)C=C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.53
▸ TGM2 P21980 5/20 0.48
▸ TSHR P16473 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MAPT P10636 4/20 0.45
▸ GAA P10253 1/20 0.45
▸ CYP19A1 P11511 3/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ TBXA2R P21731 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL10363305 0.93 RAB9A (0.52) RAB9ATGM2MAPTGAAKMT2A
SCHEMBL10362575 0.91 RAB9A (0.48) RAB9ATGM2TSHRTDP1MAPT
SCHEMBL10362336 0.91 RAB9A (0.48) RAB9ATGM2TSHRTDP1MAPT
SCHEMBL10364150 0.91 RAB9A (0.51) RAB9ATGM2TDP1APEX1ALDH1A1
SCHEMBL10364059 0.90 RAB9A (0.53) RAB9ATGM2TDP1MAPTGAA
SCHEMBL10364064 0.90 RAB9A (0.68) RAB9ATGM2TDP1MAPTGAA
SCHEMBL10363741 0.90 RAB9A (0.50) RAB9ATGM2TSHRTDP1MAPT
SCHEMBL10803038 0.89 RAB9A (0.49) RAB9ATGM2TSHRTDP1MAPT
SCHEMBL10810429 0.88 TGM2 (0.46) RAB9ATGM2TDP1MAPTGAA
SCHEMBL10362592 0.84 MAPT (0.55) RAB9ATGM2MAPTAPEX1KMT2A

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
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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