SCHEMBL9505653

SCHEMBL9505653

C=Cc1ccc(OC(=O)C(C)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
TTR P02766 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ELANE P08246 1/20 0.41
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38

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
SCHEMBL5831972 0.87 ELANE (0.56) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL72231 0.84 MAPT (0.59) KMT2AMEN1MAPTKDM4ELMNA
Fluoride SCHEMBL31143711 0.82 MAPT (0.58) KMT2AMEN1MAPTKDM4ELMNA
Hydrochloric Acid SCHEMBL31143691 0.82 MAPT (0.58) KMT2AMEN1MAPTKDM4ELMNA
Bromide SCHEMBL31143723 0.82 MAPT (0.58) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL15834834 0.82 ELANE (0.51) KMT2AMEN1MAPTKDM4ELMNA
4-Vinylphenol SCHEMBL15157512 0.81 ELANE (0.50) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL28436090 0.81 LMNA (0.61) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL9560751 0.81 ALDH1A1 (0.42) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL2791741 0.79 ALDH1A1 (0.50) KMT2AMEN1MAPTKDM4ELMNA

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