SCHEMBL10657140

SCHEMBL10657140

NC(N)(CCCO)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG2 P78540 6/20 0.48
GPR84 Q9NQS5 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ARG1 P05089 5/20 0.39
CAMK2A Q9UQM7 1/20 0.38
ODC1 P11926 2/20 0.35
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
GGT1 P19440 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 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
SCHEMBL4854796 0.97 ARG2 (0.52) ARG2GPR84FFAR1FFAR4ARG1
SCHEMBL8678281 0.95 ARG2 (0.50) ARG2GPR84FFAR1FFAR4ARG1
SCHEMBL442848 0.83
SCHEMBL9403239 0.82 NFKB1 (0.52) ARG2GPR84FFAR1FFAR4CAMK2A
SCHEMBL6632838 0.79 ODC1 (0.56) ARG2ARG1ODC1KDM4ELMNA
SCHEMBL288685 0.77 FDPS (0.46) ARG2GPR84FFAR1FFAR4ARG1
SCHEMBL2587404 0.77 ODC1 (0.48) ARG2ARG1ODC1KDM4ELMNA
SCHEMBL497881 0.77 LMNA (0.48) GPR84FFAR1FFAR4CAMK2ALMNA
SCHEMBL29290 0.75 LMNA (0.52) GPR84FFAR1FFAR4LMNABLM
SCHEMBL3624118 0.75 ARG1 (0.35) ARG2ARG1ODC1LMNABLM

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-4746649-A Diamino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1988-05-24 US disclosed
EP-0161588-A2 Diamino acid derivatives MERCK PATENT GmbH (DE) 1985-11-21 EP disclosed