SCHEMBL9488596

SCHEMBL9488596

CCCCOC(=O)C=C(NC(C)=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 4/20 0.44
TSHR P16473 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
RECQL P46063 1/20 0.44
ATM Q13315 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL13662396 0.86 MAPT (0.46) KDM4EL3MBTL1LMNARAB9ARECQL
SCHEMBL636993 0.86 MAPT (0.46) KDM4EL3MBTL1LMNARAB9ARECQL
SCHEMBL14247549 0.79 SRC (0.46) KDM4ETSHRL3MBTL1RAB9AKMT2A
SCHEMBL5142053 0.79 SRC (0.46) KDM4ETSHRL3MBTL1RAB9AKMT2A
SCHEMBL187459 0.79 SRC (0.46) KDM4ETSHRL3MBTL1RAB9AKMT2A
SCHEMBL11243008 0.78 TSHR (0.54) KDM4ETSHRL3MBTL1MAPK1TP53
SCHEMBL9487617 0.77 TSHR (0.49) KDM4ETDP1TSHRL3MBTL1HPGD
SCHEMBL388144 0.76 MTNR1A (0.44) KDM4ETDP1TSHRL3MBTL1HPGD
SCHEMBL6648182 0.76 MTNR1A (0.44) KDM4ETDP1TSHRL3MBTL1HPGD
SCHEMBL5072835 0.76 MTNR1A (0.44) KDM4ETDP1TSHRL3MBTL1HPGD

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-0198397-B1 METHOD OF PRODUCING L-PHENYLALANINE KURARAY CO., LTD. (JP) 1993-01-07 EP disclosed
US-4743547-A PURITY, ENZYME HYDROLYSIS KURARAY CO., LTD. (JP) 1988-05-10 US disclosed
EP-0198397-A2 Method of producing L-phenylalanine KURARAY CO., LTD. (JP) 1986-10-22 EP disclosed