SCHEMBL7333633

SCHEMBL7333633

CC(C)C(=O)Nc1ccc(C(=O)Oc2cc([N+](=O)[O-])ccc2C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.53
▸ KMT2A Q03164 11/20 0.49
▸ MEN1 O00255 10/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ POLB P06746 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ LMNA P02545 5/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 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
SCHEMBL7330798 0.85 MAPT (0.56) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL7343524 0.84 F11 (0.45) ALDH1A1SMN1; SMN2RAB9AHTTHPGD
SCHEMBL7341144 0.84 IMPDH2 (0.44) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7338363 0.84 ALDH1A1 (0.42) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL7339841 0.84 ALDH1A1 (0.44) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL7331572 0.84 ALDH1A1 (0.47) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL7333593 0.83 F11 (0.49) POLB
SCHEMBL7342249 0.83 ADRB1 (0.47) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL7336287 0.82 SMN1; SMN2 (0.43) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL7332390 0.81 ALDH1A1 (0.47) MAPTKMT2AMEN1ALDH1A1GAA

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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