SCHEMBL11262817

SCHEMBL11262817

CC(=O)NN[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GNPAT O15228 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
PAM P19021 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
TACR1 P25103 1/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.49
CTRB1 P17538 2/20 0.49
CYP1A2 P05177 1/20 0.48

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
SCHEMBL29064035 1.00 MME (0.51) MMEL3MBTL1GNPATCTSSCTSK
SCHEMBL27850341 1.00 MME (0.51) MMEL3MBTL1GNPATCTSSCTSK
SCHEMBL31504150 0.88 FOLH1 (0.56) MMEL3MBTL1SLC7A5LMNANAALAD2
SCHEMBL28648687 0.86 GRIA2 (0.54) L3MBTL1SLC7A5
SCHEMBL9208207 0.85 ATM (0.57) L3MBTL1TACR1LMNA
SCHEMBL157547 0.85 MME (0.61) MMEL3MBTL1NPSR1ALPIPKM
Afalanine SCHEMBL8587729 0.82 CTSS (0.65) MMEL3MBTL1GNPATCTSSCTSK
Afalanine SCHEMBL331330 0.82 CTSS (0.65) MMEL3MBTL1GNPATCTSSCTSK
SCHEMBL9178000 0.82 MME (0.54) MMEL3MBTL1NPSR1LMNATDP1
Afalanine SCHEMBL158612 0.82 CTSS (0.65) MMEL3MBTL1GNPATCTSSCTSK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0047079-A1 Nonapeptides affecting gonadal function THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1982-03-10 EP claimed
CN-102234241-A Chemical synthesis method of chiral D-phenylalanine CHARNA CHEMICALS LTD 2011-11-09 CN disclosed
EP-0047079-A1 Nonapeptides affecting gonadal function THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1982-03-10 EP disclosed
EP-0047079-A1 Nonapeptides affecting gonadal function THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1982-03-10 EP disclosed