SCHEMBL9492291

SCHEMBL9492291

C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CBr

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MBTPS1 Q14703 1/20 0.50
ALDH1A1 P00352 3/20 0.48
TACR1 P25103 1/20 0.46
CASP1 P29466 4/20 0.46
ACE P12821 1/20 0.46
CTSL P07711 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
CYP2C9 P11712 2/20 0.43
THRB P10828 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL9492286 1.00 MBTPS1 (0.50) MBTPS1ALDH1A1TACR1CASP1ACE
SCHEMBL9493066 0.87 ALDH1A1 (0.51) MBTPS1ALDH1A1TACR1CASP1ACE
SCHEMBL9492541 0.87 ALDH1A1 (0.51) MBTPS1ALDH1A1TACR1CASP1ACE
SCHEMBL9492544 0.87 ALDH1A1 (0.51) MBTPS1ALDH1A1TACR1CASP1ACE
SCHEMBL9493061 0.87 ALDH1A1 (0.51) MBTPS1ALDH1A1TACR1CASP1ACE
SCHEMBL9493003 0.85 PSMB5 (0.51) ALDH1A1TACR1ACETP53POLB
SCHEMBL9492999 0.85 PSMB5 (0.51) ALDH1A1TACR1ACETP53POLB
SCHEMBL9493914 0.84 TACR1 (0.61) ALDH1A1TACR1CASP1CTSLPOLB
SCHEMBL9493909 0.84 TACR1 (0.61) ALDH1A1TACR1CASP1CTSLPOLB
SCHEMBL9278809 0.83 ALPI (0.46) MBTPS1ALDH1A1TACR1CASP1ACE

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