SCHEMBL8348645

SCHEMBL8348645

CC(C)C[C@H](N)C(=O)OC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.44
▸ SLC1A3 P43003 1/20 0.35
▸ SLC1A2 P43004 1/20 0.35
▸ ANPEP P15144 5/20 0.34
▸ RNPEP Q9H4A4 2/20 0.34
▸ DNPEP Q9ULA0 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CTSL P07711 2/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ NOS1 P29475 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ POLB P06746 1/20 0.32

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
SCHEMBL11776772 1.00 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL66234 0.85 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL2541315 0.85 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL66233 0.85 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Water SCHEMBL27480998 0.83 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Hydrochloric Acid SCHEMBL8319401 0.83 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Hydrochloric Acid SCHEMBL953366 0.83 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Hydrochloric Acid SCHEMBL953367 0.83 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Hydrochloric Acid SCHEMBL3937498 0.83 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL29269090 0.83 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981207-A ENZYME SUBSTRATE WHICH IS DEACTIVATED BY PHOTOLYTICALLY CLEAVABLE CAGING GROUP; FOR CELL-BASED CHEMILUMINESCENT DRUG SCREENING PHARMACOPEIA, INC. (US) 1999-11-09 — — US disclosed
EP-0627444-A1 Monoacetic derivatives of the peptides leu-phe-ala and ala-leu-phe and their use in identifying and destroying tumour cells, viruses and virus-carrying cells Grippa, Leonida (IT) 1994-12-07 — — EP disclosed
Send feedback