SCHEMBL9506408

SCHEMBL9506408

O=C(O)C(=O)Cc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HIF1A Q16665 3/20 0.58
LMNA P02545 3/20 0.58
MAPT P10636 2/20 0.58
NFKB1 P19838 2/20 0.58
THPO P40225 2/20 0.58
PMP22 Q01453 2/20 0.58
GMNN O75496 1/20 0.58
CYP2D6 P10635 1/20 0.58
GABRA1 P14867 1/20 0.58
TSHR P16473 1/20 0.58
GABRA2 P47869 1/20 0.58
GABRB2 P47870 1/20 0.58
SLCO1B3 Q9NPD5 1/20 0.58
CYP3A4 P08684 3/20 0.56
ALOX15 P16050 2/20 0.56
KMT2A Q03164 2/20 0.56
ABCB11 O95342 1/20 0.56
CHRM2 P08172 1/20 0.56

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
Chlorphenacyl SCHEMBL7468547 0.86 LMNA (0.66) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL7472387 0.82 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL14839588 0.81 CYP3A4 (0.58) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL12102420 0.78 HDAC6 (0.68) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL6595162 0.78 EGFR (0.53) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL7465257 0.77 CYP4F2 (0.51) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL2564390 0.76 ALDH1A1 (0.82) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL12102434 0.74 EGFR (0.49) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL472272 0.74 F2 (0.52) ALDH1A1MAPTTSHRCYP3A4ALOX15
SCHEMBL766052 0.74 EGFR (0.61) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT

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 4 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
EP-0206460-A2 L-phenylalanine dehydrogenase and use thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-12-30 EP disclosed