SCHEMBL7134426

SCHEMBL7134426

O=C(Oc1ccccc1[N+](=O)[O-])C1CCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ ESR2 Q92731 2/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ GAA P10253 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
SCHEMBL9027345 0.94 RAB9A (0.54) SMN1; SMN2KMT2ATDP1HTTL3MBTL1
SCHEMBL28731533 0.88 ALDH1A1 (0.50) SMN1; SMN2KMT2ATDP1HTTL3MBTL1
SCHEMBL28731537 0.82 ALDH1A1 (0.46) SMN1; SMN2KMT2ATDP1HTTL3MBTL1
SCHEMBL16756229 0.82 KMT2A (0.64) SMN1; SMN2KMT2ATDP1HTTL3MBTL1
SCHEMBL8315096 0.81 MAPT (0.51) SMN1; SMN2KMT2ATDP1HTTL3MBTL1
SCHEMBL7978485 0.79 SMN1; SMN2 (0.44) SMN1; SMN2KMT2ATDP1HTTL3MBTL1
SCHEMBL3499943 0.79 SMN1; SMN2 (0.44) SMN1; SMN2KMT2ATDP1HTTL3MBTL1
SCHEMBL16756223 0.78 ESR1 (0.63) SMN1; SMN2KMT2ATDP1HTTL3MBTL1
SCHEMBL8320004 0.78 POLB (0.63) SMN1; SMN2KMT2ATDP1HTTL3MBTL1
SCHEMBL28448328 0.77 ALDH1A1 (0.52) KMT2ATDP1HTTL3MBTL1MEN1

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-1330432-A2 SUBSTITUTED ALKANOIC ACIDS Aventis Pharma Limited (GB) 2003-07-30 — — EP disclosed
WO-2002036553-A2 SUBSTITUTED ALKANOIC ACIDS AVENTIS PHARMA LIMITED (GB) 2002-05-10 — — WO disclosed
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