SCHEMBL9487635

SCHEMBL9487635

CCOC(=O)C=C(NC(=O)CC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
LMNA P02545 3/20 0.43
MDM2 Q00987 2/20 0.43
MDM4 O15151 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 6/20 0.42
GAA P10253 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PTGS2 P35354 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 0.87 MAPT (0.46) MAPTLMNAMDM2MDM4SMN1; SMN2
SCHEMBL636993 0.87 MAPT (0.46) MAPTLMNAMDM2MDM4SMN1; SMN2
SCHEMBL629505 0.83 MAPT (0.48) MAPTLMNAMDM2MDM4SMN1; SMN2
SCHEMBL629506 0.83 MAPT (0.48) MAPTLMNAMDM2MDM4SMN1; SMN2
SCHEMBL1273130 0.83 MAPT (0.48) MAPTLMNAMDM2MDM4SMN1; SMN2
SCHEMBL9298448 0.81 GAA (0.51) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL3858960 0.81 GAA (0.51) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL2549625 0.81 GAA (0.51) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL28837932 0.78 MAPT (0.59) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL6524082 0.76 MAPT (0.50) MAPTLMNASMN1; SMN2ALDH1A1GAA

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