SCHEMBL7332137

SCHEMBL7332137

COC(=O)c1ccc(Cl)cc1OC(=O)c1ccc(NC(=O)C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ ALDH1A1 P00352 5/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ CYP2C9 P11712 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ HTT P42858 3/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ ABL1 P00519 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43

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
SCHEMBL7333593 0.81 F11 (0.49) CYP2C9CYP2C19POLB
SCHEMBL7333467 0.81 POLB (0.47) KMT2AMEN1ALDH1A1KDM4ECYP2C9
SCHEMBL7339251 0.81 LMNA (0.50) KMT2AMEN1ALDH1A1KDM4ECYP2C9
SCHEMBL13391037 0.77 MEN1 (0.62) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL7339865 0.77 KMT2A (0.55) KMT2AMEN1ALDH1A1CYP2C9CYP2C19
SCHEMBL7484390 0.77 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL7333001 0.76 KMT2A (0.57) KMT2AMEN1ALDH1A1KDM4ECYP2C9
SCHEMBL9227218 0.75 ALDH1A1 (0.71) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL6671177 0.75 HTT (0.58) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL7335748 0.75 MEN1 (0.51) KMT2AMEN1ALDH1A1KDM4ECYP2C9

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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