SCHEMBL28610049

SCHEMBL28610049

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.33
GGT1 P19440 1/20 0.33
NOS2 P35228 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2C19 P33261 2/20 0.32
LMNA P02545 2/20 0.32
ALOX15 P16050 2/20 0.32
BLM P54132 2/20 0.32
PMP22 Q01453 2/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 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
SCHEMBL28453562 1.00 FDPS (0.33) FDPSGGT1NOS2KDM4EHMGCR
SCHEMBL9823655 1.00 FDPS (0.33) FDPSGGT1NOS2KDM4EHMGCR
SCHEMBL161723 0.81 GGT1 (0.46) GGT1NOS2KDM4EHMGCRCHRM1
SCHEMBL161722 0.81 GGT1 (0.46) GGT1NOS2KDM4EHMGCRCHRM1
SCHEMBL573396 0.81 GGT1 (0.46) GGT1NOS2KDM4EHMGCRCHRM1
SCHEMBL1133260 0.77
SCHEMBL960674 0.74 KDM4E (0.40) KDM4EHMGCRCHRM1TBXA2RADRA1A
Hydrochloric Acid SCHEMBL14889588 0.74
SCHEMBL355066 0.74
SCHEMBL26670507 0.74

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-113194983-A Compositions and methods for treating viral infections 奇达拉治疗公司 2021-07-30 CN disclosed