SCHEMBL7337966

SCHEMBL7337966

CC(C)C(=O)Nc1ccc(C(=O)Oc2cccc(Br)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ KMT2A Q03164 6/20 0.52
▸ MTNR1B P49286 3/20 0.51
▸ CYP1A2 P05177 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ CYP2C9 P11712 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MTNR1A P48039 1/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ NPC1 O15118 2/20 0.46

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
SCHEMBL14521766 0.86 MAPT (0.54) ALDH1A1SMN1; SMN2KMT2AMTNR1BCYP1A2
SCHEMBL7342155 0.85 MEN1 (0.52) ALDH1A1SMN1; SMN2KMT2AMTNR1BCYP1A2
SCHEMBL7336070 0.82 MLYCD (0.52) ALDH1A1SMN1; SMN2KMT2AMTNR1BRAB9A
SCHEMBL7331326 0.81 PRSS1 (0.56) ALDH1A1SMN1; SMN2KMT2AMTNR1BMAPT
SCHEMBL7342059 0.81 KMT2A (0.58) ALDH1A1SMN1; SMN2L3MBTL1KMT2AMAPT
SCHEMBL7333348 0.79 KMT2A (0.65) ALDH1A1SMN1; SMN2KMT2AMTNR1BCYP1A2
SCHEMBL7339865 0.77 KMT2A (0.55) ALDH1A1SMN1; SMN2KMT2AMTNR1BMAPT
SCHEMBL7329888 0.77 MLYCD (0.51) ALDH1A1SMN1; SMN2KMT2AMTNR1BCYP1A2
SCHEMBL34460125 0.76 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2L3MBTL1KMT2AMAPT
SCHEMBL8210907 0.76 KMT2A (0.68) ALDH1A1SMN1; SMN2KMT2ACYP1A2MAPT

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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