SCHEMBL18079492

SCHEMBL18079492

CB(O)CCCCC(N)(CCCN(C)Cc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.44
▸ LTA4H P09960 6/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ ARG1 P05089 8/20 0.39
▸ ARG2 P78540 8/20 0.39
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL10006244 0.94 ARG2 (0.46) ATMLTA4HHTR2ASLC6A4TMEM97
SCHEMBL18079487 0.90 ARG2 (0.43) ATMTMEM97SIGMAR1ARG1ARG2
SCHEMBL18079494 0.88 ARG1 (0.40) ATMTMEM97SIGMAR1ARG1ARG2
SCHEMBL18079486 0.84 ARG2 (0.46) LTA4HTMEM97SIGMAR1ARG1ARG2
SCHEMBL10006164 0.83 ARG1 (0.52) SIGMAR1ARG1ARG2
SCHEMBL10006086 0.81 ARG2 (0.48) TMEM97SIGMAR1ARG1ARG2
SCHEMBL18079490 0.79 ARG1 (0.44) TMEM97SIGMAR1ARG1ARG2
SCHEMBL18079472 0.79 TMEM97 (0.44) TMEM97SIGMAR1ARG1ARG2
SCHEMBL18079474 0.78 ARG2 (0.48) SIGMAR1ARG1ARG2MAPK1
SCHEMBL10006166 0.77 ARG1 (0.55) ARG1ARG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447122-B2 Arginase inhibitors and methods of use thereof ASTRAZENECA AB (SE) 2016-09-20 — — US disclosed
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