SCHEMBL7340885

SCHEMBL7340885

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
MEN1 O00255 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
MAPT P10636 5/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
NPC1 O15118 1/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 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
SCHEMBL7340889 1.00 KMT2A (0.52) KMT2AMEN1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL7339076 0.84 SMN1; SMN2 (0.60) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL7339630 0.84 MEN1 (0.51) KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL7341981 0.83 EGFR (0.66) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL7341979 0.83 EGFR (0.66) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL7330954 0.81 KMT2A (0.57) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL7331661 0.80 ALDH1A1 (0.57) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL7328819 0.78 KMT2A (0.56) KMT2AMEN1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL7339865 0.78 KMT2A (0.55) KMT2AMEN1SMN1; SMN2MTNR1BMAPT
SCHEMBL7341015 0.78 TSHR (0.58) KMT2AMEN1SMN1; SMN2PKMTSHR

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