SCHEMBL9506412

SCHEMBL9506412

CC(=O)C(=O)Oc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.48
ERBB2 P04626 5/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
CYP3A4 P08684 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HIF1A Q16665 3/20 0.47
LMNA P02545 3/20 0.47
ALOX15 P16050 2/20 0.47
NFKB1 P19838 2/20 0.47
THPO P40225 2/20 0.47
MAPT P10636 2/20 0.47
PMP22 Q01453 2/20 0.47
ABCB11 O95342 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
CHRM1 P11229 1/20 0.47
ACHE P22303 1/20 0.47
PTGS1 P23219 1/20 0.47

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
SCHEMBL10686398 0.87 EGFR (0.50) EGFRERBB2KMT2AMEN1CYP3A4
SCHEMBL8508241 0.81 EGFR (0.47) EGFRERBB2KMT2AMEN1CYP3A4
SCHEMBL5384052 0.80 CYP3A4 (0.49) EGFRERBB2KMT2AMEN1CYP3A4
SCHEMBL7717389 0.80 ALDH1A1 (0.50) EGFRERBB2KMT2AMEN1CYP3A4
SCHEMBL6675108 0.78 EGFR (0.52) EGFRERBB2KMT2AMEN1CYP3A4
SCHEMBL9417616 0.77 CYP3A4 (0.50) EGFRERBB2KMT2AMEN1CYP3A4
SCHEMBL472273 0.75 MAPT (0.47) KMT2AMEN1CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL11980711 0.74 EGFR (0.63) EGFRERBB2KMT2AMEN1CYP3A4
SCHEMBL10530057 0.74 EGFR (0.41) EGFRERBB2KMT2AMEN1CYP3A4
SCHEMBL5381358 0.73 CYP3A4 (0.42) EGFRERBB2KMT2AMEN1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0206460-B1 L-PHENYLALANINE DEHYDROGENASE AND USE THEREOF SAGAMI CHEMICAL RESEARCH CENTER (JP) 1993-08-11 EP disclosed
EP-0513872-A1 L-phenylalanine dehydrogenase and use thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-11-19 EP disclosed
US-4849345-A L-phenylalanine dehydrogenase and use thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-07-18 US disclosed