SCHEMBL16595170

SCHEMBL16595170

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

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
LMNA P02545 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
SCHEMBL16595141 0.87 LMNA (0.32) LMNA
SCHEMBL277289 0.74 LMNA (0.33) TAS1R3TAS1R1LMNA
SCHEMBL20632266 0.73 TSHR (0.36) TAS1R3TAS1R1LMNA
SCHEMBL2058301 0.73 TSHR (0.36) TAS1R3TAS1R1LMNA
SCHEMBL16595155 0.71
SCHEMBL10549529 0.70
SCHEMBL22157511 0.69
SCHEMBL6696607 0.68
SCHEMBL724588 0.68
SCHEMBL18576568 0.67 SLC6A4 (0.38) TAS1R3TAS1R1

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
WO-2015039612-A1 COMPOUND INHIBITING KINASE ACTIVITIES OF BTK AND/OR JAK3 北京韩美药品有限公司 2015-03-26 WO disclosed