SCHEMBL7340280

SCHEMBL7340280

CC(C)C(=O)Nc1ccc(C(=O)Oc2cc(O)cc(Cl)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 5/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MLYCD O95822 1/20 0.44
POLB P06746 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
MTNR1B P49286 2/20 0.41
STAT3 P40763 1/20 0.41
CYP3A4 P08684 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40

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 0.92 KMT2A (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7330761 0.89 KMT2A (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7333046 0.88 KMT2A (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7333001 0.88 KMT2A (0.57) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7334099 0.86 MEN1 (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7338290 0.86 KMT2A (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7330872 0.84 KMT2A (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7341414 0.84 KMT2A (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7334223 0.83 KMT2A (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7338301 0.82 KMT2A (0.45) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD

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