SCHEMBL7320060

SCHEMBL7320060

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
THRB P10828 1/20 0.41
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
BLM P54132 1/20 0.32
GGT1 P19440 1/20 0.32
FFAR3 O14843 1/20 0.32
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL18036525 1.00 MEN1 (0.41) MEN1CYP1A2KMT2AALDH1A1SMN1; SMN2
SCHEMBL6882712 0.86 MEN1 (0.46) MEN1CYP1A2KMT2AALDH1A1SMN1; SMN2
SCHEMBL2485254 0.80 MEN1 (0.39) MEN1CYP1A2KMT2AALDH1A1SMN1; SMN2
SCHEMBL7253604 0.79 ALDH1A1 (0.41) MEN1CYP1A2KMT2AALDH1A1SMN1; SMN2
SCHEMBL16568741 0.77 MEN1 (0.40) MEN1CYP1A2KMT2AALDH1A1SMN1; SMN2
SCHEMBL22612005 0.77 ALDH1A1 (0.40) MEN1CYP1A2KMT2AALDH1A1SMN1; SMN2
SCHEMBL681314 0.76 SMN1; SMN2 (0.38) SMN1; SMN2HIF1AARG1ARG2BLM
SCHEMBL27553149 0.75 MEN1 (0.39) MEN1CYP1A2KMT2AALDH1A1SMN1; SMN2
SCHEMBL4361740 0.75 MEN1 (0.39) MEN1CYP1A2KMT2AALDH1A1SMN1; SMN2
SCHEMBL7034666 0.73 MEN1 (0.38) MEN1CYP1A2KMT2AALDH1A1SMN1; SMN2

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-5229420-A Renin inhibitor G. D. SEARLE & CO. (US) 1993-07-20 US disclosed
EP-0349921-A2 Etheral n-terminal aminodiol amino acid derivatives as anti-hypertensive agents G.D. Searle & Co. (US) 1990-01-10 EP disclosed