SCHEMBL7333607

SCHEMBL7333607

CC(C)C(=O)Nc1ccc(C(=O)Oc2cc(Cl)cc(OS(=O)(=O)c3ccccc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 7/20 0.53
ENPP3 O14638 6/20 0.53
ENPP2 Q13822 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 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
LMNA P02545 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
P2RY2 P41231 1/20 0.41
GPR17 Q13304 1/20 0.41
MTNR1B P49286 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
SCHEMBL7338290 0.86 KMT2A (0.46) ENPP1ENPP3SMN1; SMN2ALDH1A1HPGD
SCHEMBL7335767 0.85 KMT2A (0.44) SMN1; SMN2ALDH1A1HPGDHTTRAB9A
SCHEMBL7333527 0.84 KMT2A (0.43) ENPP1ENPP3SMN1; SMN2ALDH1A1HPGD
SCHEMBL7340814 0.84 KMT2A (0.44) ENPP1ENPP3ENPP2SMN1; SMN2ALDH1A1
SCHEMBL7343147 0.84 PPARG (0.52) SMN1; SMN2ALDH1A1HPGDHTTRAB9A
SCHEMBL7343139 0.84 PPARG (0.52) SMN1; SMN2ALDH1A1HPGDHTTRAB9A
SCHEMBL7339865 0.83 KMT2A (0.55) SMN1; SMN2ALDH1A1HPGDHTTRAB9A
SCHEMBL7330761 0.82 KMT2A (0.54) SMN1; SMN2ALDH1A1HPGDHTTRAB9A
SCHEMBL7333001 0.81 KMT2A (0.57) SMN1; SMN2ALDH1A1HPGDHTTRAB9A
SCHEMBL7333046 0.81 KMT2A (0.50) SMN1; SMN2ALDH1A1HPGDHTTRAB9A

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