SCHEMBL6651718

SCHEMBL6651718

N[C@H](OCc1ccccc1)C(CC1CCCC1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 7/20 0.48
SLC1A3 P43003 6/20 0.48
SLC1A2 P43004 6/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
CTSS P25774 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
ATM Q13315 1/20 0.39
LTA4H P09960 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MME P08473 1/20 0.38

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
SCHEMBL6652464 1.00 SLC1A1 (0.48) SLC1A1SLC1A3SLC1A2MEN1KMT2A
SCHEMBL9265345 0.80 SLC1A3 (0.45) SLC1A1SLC1A3SLC1A2MEN1KMT2A
SCHEMBL4451525 0.79 EPHX2 (0.46) SLC1A1SLC1A3SLC1A2MEN1KMT2A
SCHEMBL6473457 0.76 IDO1 (0.53) KMT2ACYP2C9CYP2C19METAP2METAP1
SCHEMBL9450992 0.76 SLC1A1 (0.54) SLC1A1SLC1A3SLC1A2MEN1KMT2A
SCHEMBL8759874 0.75 METAP2 (0.47) MEN1KMT2ACYP2C9CYP2C19METAP2
Hydrochloric Acid SCHEMBL3823025 0.75 IDO1 (0.52) KMT2ACYP2C9CYP2C19METAP2METAP1
SCHEMBL6479809 0.75 IDO1 (0.52) MEN1KMT2ACYP2C9CYP2C19METAP2
Hydrochloric Acid SCHEMBL9516057 0.74 METAP2 (0.49) SLC1A1SLC1A3SLC1A2MEN1KMT2A
Hydrochloric Acid SCHEMBL9516061 0.74 METAP2 (0.49) SLC1A1SLC1A3SLC1A2MEN1KMT2A

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
WO-2000061134-A9 ANTIMICROBIAL AGENTS BRITISH BIOTECH PHARM (GB) 2004-04-22 WO disclosed
US-6716878-B1 BACTERICIDE, ANTIPROTOZOAL; VANCOMYCIN RESISTANT ENTEROCOCCI AND BETA-LACTAM ANTIBIOTIC-RESISTANT BACTERIA, METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS; HYDROXAMIC ACID AND N-FORMYL SUBTITUTED ALKYLAMIDES VERNALIS (OXFORD) LIMITED (GB) 2004-04-06 US disclosed
EP-1169031-A1 ANTIMICROBIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-01-09 EP disclosed
WO-2000061134-A1 ANTIMICROBIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-10-19 WO disclosed