SCHEMBL7337457

SCHEMBL7337457

CC(C)C(=O)Nc1ccc(C(=O)Oc2cccc(O)c2[N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.46
▸ MEN1 O00255 7/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPT P10636 6/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ GAA P10253 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ ESR1 P03372 4/20 0.43
▸ ESR2 Q92731 4/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 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
SCHEMBL7332849 0.90 STAT3 (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7329499 0.82 KMT2A (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7333004 0.77 LMNA (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7331427 0.76 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7342059 0.76 KMT2A (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7332611 0.75 LMNA (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7340439 0.75 LMNA (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7330798 0.75 MAPT (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7333881 0.75 LMNA (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7329112 0.75 LMNA (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT

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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