SCHEMBL7328819

SCHEMBL7328819

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.56
MEN1 O00255 7/20 0.56
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
RAB9A P51151 3/20 0.53
MAPT P10636 2/20 0.53
NPC1 O15118 1/20 0.53
GAA P10253 1/20 0.51
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
TRPV1 Q8NER1 1/20 0.45
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45

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
SCHEMBL7337493 0.89 KMT2A (0.52) KMT2AMEN1SMN1; SMN2MAPTGAA
SCHEMBL7337979 0.87 ALDH1A1 (0.54) KMT2AMEN1SMN1; SMN2RAB9AMAPT
SCHEMBL7337841 0.86 THRA (0.54) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL7339085 0.85 KMT2A (0.51) KMT2AMEN1MAPK1SMN1; SMN2RAB9A
SCHEMBL7334019 0.85 KDM4E (0.53) KMT2AMEN1MAPK1SMN1; SMN2RAB9A
SCHEMBL7340472 0.85 THRA (0.53) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL7335188 0.85 THRA (0.53) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL7331228 0.84 KMT2A (0.52) KMT2AMEN1SMN1; SMN2RAB9AMAPT
SCHEMBL7336708 0.84 KMT2A (0.52) KMT2AMEN1MAPK1SMN1; SMN2RAB9A
SCHEMBL7330954 0.83 KMT2A (0.57) KMT2AMEN1SMN1; SMN2RAB9AMAPT

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