SCHEMBL11539532

SCHEMBL11539532

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 3/20 0.50
ARG2 P78540 2/20 0.50
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
CYP1A2 P05177 2/20 0.38
ODC1 P11926 1/20 0.38
CYP2D6 P10635 1/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SPTLC1 O15269 1/20 0.35
SPTLC2 O15270 1/20 0.35
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
GGT1 P19440 1/20 0.31

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
SCHEMBL1515330 1.00 ARG1 (0.50) ARG1ARG2NOS3NOS1NOS2
SCHEMBL8768541 0.83 ARG1 (0.40) ARG1ARG2NOS3NOS1NOS2
SCHEMBL22009572 0.83 ARG1 (0.40) ARG1ARG2NOS3NOS1NOS2
SCHEMBL22009377 0.83 ARG1 (0.40) ARG1ARG2NOS3NOS1NOS2
SCHEMBL2129918 0.80 ARG1 (0.50) ARG1ARG2NOS3NOS1NOS2
SCHEMBL29777967 0.80 ARG1 (0.50) ARG1ARG2NOS3NOS1NOS2
SCHEMBL16116350 0.80 ARG1 (0.50) ARG1ARG2NOS3NOS1NOS2
SCHEMBL3110575 0.79 ARG1 (0.38) ARG1ARG2NOS3NOS1NOS2
SCHEMBL3110569 0.79 ARG1 (0.38) ARG1ARG2NOS3NOS1NOS2
SCHEMBL16222763 0.78 ARG1 (0.48) ARG1ARG2NOS3NOS1NOS2

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-4145549-A CYCLIZATION, SOLVOLYSIS SANDOZ LTD. (CH) 1979-03-20 US disclosed