SCHEMBL28710331

SCHEMBL28710331

C#Cc1ccccc1CC(N)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.56
NOS1 P29475 3/20 0.56
NOS2 P35228 3/20 0.56
SLC7A5 Q01650 3/20 0.53
PKM P14618 2/20 0.53
ALPI P09923 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.48
BLM P54132 2/20 0.48
PMP22 Q01453 2/20 0.48
KMT2A Q03164 2/20 0.48
HIF1A Q16665 2/20 0.48
MPO P05164 1/20 0.48
TSHR P16473 1/20 0.48
USP2 O75604 2/20 0.45
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL28710330 1.00 NOS3 (0.56) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL2314636 0.95 NOS3 (0.52) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL29429685 0.83 NOS3 (0.56) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL42647 0.83 NOS3 (0.56) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL2030783 0.83 NOS3 (0.56) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL42646 0.83 NOS3 (0.56) NOS3NOS1NOS2SLC7A5PKM
Hydrochloric Acid SCHEMBL25215525 0.82 NOS3 (0.55) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL13971424 0.82 SLC7A5 (0.69) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL9164980 0.82 SLC7A5 (0.69) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL23069036 0.80 NOS3 (0.56) NOS3NOS1NOS2SLC7A5PKM

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
CN-107405399-B Bispecific antibodies against plasma kallikrein and factor XII 武田药品工业株式会社 2022-02-08 CN disclosed