SCHEMBL7329499

SCHEMBL7329499

CC(C)C(=O)Nc1ccc(C(=O)Oc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.56
▸ GAA P10253 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ MAPT P10636 6/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ LMNA P02545 4/20 0.51
▸ ALDH1A1 P00352 8/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ HTT P42858 3/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ GLA P06280 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ CES2 O00748 1/20 0.47

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
SCHEMBL7332797 0.86 LMNA (0.50) KMT2AGAAKDM4ETDP1MAPT
SCHEMBL7331427 0.86 ALDH1A1 (0.52) KMT2AGAAKDM4ETDP1MAPT
SCHEMBL7340439 0.85 LMNA (0.53) KMT2AGAAKDM4ETDP1MAPT
SCHEMBL7330798 0.85 MAPT (0.56) KMT2AGAAKDM4ETDP1MAPT
SCHEMBL7329112 0.85 LMNA (0.51) KMT2AGAAKDM4ETDP1MAPT
SCHEMBL7332611 0.85 LMNA (0.53) KMT2AGAAKDM4ETDP1MAPT
SCHEMBL7333881 0.85 LMNA (0.51) KMT2AGAAKDM4ETDP1MAPT
SCHEMBL7333004 0.85 LMNA (0.51) KMT2AGAAKDM4ETDP1MAPT
SCHEMBL7339251 0.84 LMNA (0.50) KMT2AGAAKDM4ETDP1MAPT
SCHEMBL7332849 0.83 STAT3 (0.52) KMT2AGAAKDM4ETDP1MAPT

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-0475531-B1 Benzoic acid phenylester compounds and elastase inhibiting compositions containing the same ASAHI CHEMICAL IND (JP) 1995-01-18 — — EP disclosed
EP-0475531-A1 Benzoic acid phenylester compounds and elastase inhibiting compositions containing the same Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-03-18 — — EP disclosed
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