SCHEMBL11059124

SCHEMBL11059124

N[C@@H](Cc1ccccc1)C(=O)OC(=O)[C@H](CCC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.52
▸ ECE1 P42892 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ CTSL P07711 3/20 0.51
▸ TACR1 P25103 2/20 0.50
▸ FOLH1 Q04609 2/20 0.50
▸ CTSB P07858 1/20 0.49
▸ CTSS P25774 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ CTRB1 P17538 2/20 0.49
▸ NAALAD2 Q9Y3Q0 1/20 0.47
▸ CASP1 P29466 1/20 0.47

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
SCHEMBL10565196 0.90 FOLH1 (0.58) MMEECE1CTSLTACR1FOLH1
SCHEMBL4910765 0.90 FOLH1 (0.58) MMEECE1CTSLTACR1FOLH1
Phenylalanine SCHEMBL10396701 0.87 MME (0.60) MMEECE1ALDH1A1ALOX15CTSL
SCHEMBL677997 0.84 FOLH1 (0.59) MMEECE1CTSLTACR1FOLH1
SCHEMBL2921260 0.84 FOLH1 (0.59) MMEECE1CTSLTACR1FOLH1
SCHEMBL7624700 0.84 FOLH1 (0.59) MMEECE1CTSLTACR1FOLH1
SCHEMBL10663912 0.83 MME (0.55) MMEECE1CTSLTACR1CTSK
SCHEMBL6259518 0.81 KYNU (0.60) MMEECE1ALDH1A1ALOX15CTSL
SCHEMBL1025916 0.81 CTSL (0.61) MMEECE1CTSLTACR1FOLH1
SCHEMBL6946904 0.81 CTSL (0.61) MMEECE1CTSLTACR1FOLH1

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
US-4436925-A Addition compound of dipeptide derivative and amino acid derivative TOYO SODA MANUFACTURING CO., LTD. (JP) 1984-03-13 — — US disclosed
US-4256836-A REACTING AN N-SUBSTITUTED MONOAMINODICARBOXYLIC ACID WITH AN AMINO CARBOXYLIC ACID ESTER TOYO SODA MANUFACTURING CO. LTD. (JP) 1981-03-17 — — US disclosed
US-4165311-A Addition compound of dipeptide derivative and amino acid derivative TOYO SODA MANUFACTURING CO. LTD. (JP) 1979-08-21 — — US disclosed
Send feedback