SCHEMBL7333467

SCHEMBL7333467

CC(C)C(=O)Nc1ccc(C(=O)Oc2cc(Cl)cc(Cl)c2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ MEN1 O00255 9/20 0.44
▸ KMT2A Q03164 9/20 0.44
▸ MLYCD O95822 1/20 0.44
▸ MAPT P10636 4/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ STAT3 P40763 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
SCHEMBL7339865 0.82 KMT2A (0.55) POLBCYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL7332137 0.81 KMT2A (0.52) POLBCYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL7333593 0.79 F11 (0.49) POLBCYP2C9CYP2C19
SCHEMBL7330761 0.79 KMT2A (0.54) POLBCYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL7339251 0.78 LMNA (0.50) POLBCYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL7333001 0.78 KMT2A (0.57) CYP2C9CYP2C19ALDH1A1SMN1; SMN2RAB9A
SCHEMBL7333046 0.78 KMT2A (0.50) POLBCYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL7340280 0.78 KMT2A (0.50) POLBCYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL7335748 0.77 MEN1 (0.51) POLBCYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL7334099 0.77 MEN1 (0.49) POLBCYP2C9CYP2C19ALDH1A1SMN1; 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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