SCHEMBL28510779

SCHEMBL28510779

CCC(C)C(NC(=S)Nc1ccccc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.73
LMNA P02545 1/20 0.73
HPGD P15428 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
CA1 P00915 5/20 0.70
CA2 P00918 5/20 0.70
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
CAPN1 P07384 1/20 0.58
FPR2 P25090 2/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
ATM Q13315 1/20 0.57
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 2/20 0.51
PSMB5 P28074 1/20 0.51

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
SCHEMBL14712615 0.84 GAA (1.00) GAALMNAHPGDSMN1; SMN2CA1
SCHEMBL3887769 0.79 GAA (0.63) GAALMNAHPGDSMN1; SMN2CA1
SCHEMBL5274814 0.78 CYP2C9 (0.52) GAALMNAHPGDSMN1; SMN2CA2
SCHEMBL22957976 0.78 GAA (0.71) GAALMNAHPGDSMN1; SMN2CA1
SCHEMBL5274809 0.78 CYP2C9 (0.52) GAALMNAHPGDSMN1; SMN2CA2
SCHEMBL24064909 0.78 GAA (0.71) GAALMNAHPGDSMN1; SMN2CA1
SCHEMBL11283059 0.78 STAT3 (0.61) GAALMNAHPGDSMN1; SMN2KMT2A
SCHEMBL20335076 0.76 SMN1; SMN2 (0.77) GAALMNAHPGDSMN1; SMN2CA1
SCHEMBL20335075 0.76 SMN1; SMN2 (0.77) GAALMNAHPGDSMN1; SMN2CA1
SCHEMBL28178535 0.75 CYP2C9 (0.51) GAALMNAHPGDSMN1; SMN2CA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112326817-A Method for identifying fennel honey 秦皇岛海关技术中心 2021-02-05 CN claimed
CN-112326817-B Method for identifying fennel honey 秦皇岛海关技术中心 2022-04-22 CN disclosed
CN-112326817-A Method for identifying fennel honey 秦皇岛海关技术中心 2021-02-05 CN disclosed