SCHEMBL7333348

SCHEMBL7333348

COc1cc(OC)cc(OC(=O)c2ccc(NC(=O)C(C)C)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.65
▸ MTNR1B P49286 3/20 0.59
▸ ALDH1A1 P00352 8/20 0.52
▸ LMNA P02545 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ MTNR1A P48039 1/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ MEN1 O00255 5/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ HPGD P15428 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MLYCD O95822 1/20 0.49
▸ STAT3 P40763 1/20 0.48
▸ NPC1 O15118 3/20 0.47
▸ TP53 P04637 3/20 0.47
▸ PKM P14618 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP1A2 P05177 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
SCHEMBL7333001 0.94 KMT2A (0.57) KMT2AMTNR1BALDH1A1LMNAKDM4E
SCHEMBL7329888 0.84 MLYCD (0.51) KMT2AMTNR1BALDH1A1LMNAKDM4E
SCHEMBL7339865 0.84 KMT2A (0.55) KMT2AMTNR1BALDH1A1LMNAMAPT
SCHEMBL7330761 0.84 KMT2A (0.54) KMT2AMTNR1BALDH1A1LMNAMAPT
SCHEMBL7333046 0.83 KMT2A (0.50) KMT2AMTNR1BALDH1A1LMNAKDM4E
SCHEMBL7340407 0.83 MLYCD (0.47) KMT2AMTNR1BALDH1A1LMNAKDM4E
SCHEMBL7331824 0.82 RAB9A (0.47) KMT2AMTNR1BALDH1A1MAPTSMN1; SMN2
SCHEMBL13391037 0.81 MEN1 (0.62) KMT2AALDH1A1LMNAKDM4EMAPT
SCHEMBL7340280 0.80 KMT2A (0.50) KMT2AMTNR1BALDH1A1LMNAKDM4E
SCHEMBL9840189 0.80 PLAU (0.51) KMT2AALDH1A1KDM4EMAPTSMN1; SMN2

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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