SCHEMBL9492541

SCHEMBL9492541

C=CCOC(=O)C(Cc1ccccc1)NC(=O)CCl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
NCOA1 Q15788 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
MBTPS1 Q14703 1/20 0.47
CTSG P08311 1/20 0.47
CMA1 P23946 1/20 0.47
TACR1 P25103 1/20 0.46
CASP1 P29466 4/20 0.46
ACE P12821 1/20 0.46
POLB P06746 2/20 0.45
CTSL P07711 1/20 0.45
ATM Q13315 1/20 0.44

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
SCHEMBL9492544 1.00 ALDH1A1 (0.51) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL9492291 0.87 MBTPS1 (0.50) ALDH1A1MBTPS1TACR1CASP1ACE
SCHEMBL9493066 0.87 ALDH1A1 (0.51) ALDH1A1MBTPS1TACR1CASP1ACE
SCHEMBL9493061 0.87 ALDH1A1 (0.51) ALDH1A1MBTPS1TACR1CASP1ACE
SCHEMBL9492286 0.87 MBTPS1 (0.50) ALDH1A1MBTPS1TACR1CASP1ACE
SCHEMBL9493003 0.85 PSMB5 (0.51) ALDH1A1TACR1ACEPOLB
SCHEMBL9492999 0.85 PSMB5 (0.51) ALDH1A1TACR1ACEPOLB
SCHEMBL9493909 0.84 TACR1 (0.61) ALDH1A1TACR1CASP1POLBCTSL
SCHEMBL9493914 0.84 TACR1 (0.61) ALDH1A1TACR1CASP1POLBCTSL
SCHEMBL9278809 0.83 ALPI (0.46) ALDH1A1MBTPS1TACR1CASP1ACE

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