SCHEMBL31483043

SCHEMBL31483043

CCC(=O)NC(C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
TAS1R2 Q8TE23 3/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.36
PSMB5 P28074 1/20 0.34
FAAH O00519 1/20 0.33
MAPK1 P28482 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL16298847 1.00 CYP2C9 (0.46) CYP2C9CYP3A4CYP2C19SIGMAR1TAS1R3
SCHEMBL19988829 0.82 HDAC3 (0.44) CYP2C9CYP3A4CYP2C19SIGMAR1TAS1R3
SCHEMBL1018454 0.79 CYP3A4 (0.44) CYP2C9CYP3A4CYP2C19SIGMAR1TAS1R3
SCHEMBL17778480 0.79 CYP2C9 (0.45) CYP2C9CYP3A4CYP2C19MEN1KMT2A
SCHEMBL15116375 0.79 CYP3A4 (0.44) CYP2C9CYP3A4CYP2C19SIGMAR1TAS1R3
SCHEMBL18373874 0.79 CYP2C9 (0.45) CYP2C9CYP3A4CYP2C19MEN1KMT2A
SCHEMBL8433156 0.79 CYP3A4 (0.44) CYP2C9CYP3A4CYP2C19SIGMAR1TAS1R3
SCHEMBL13826479 0.79 CYP3A4 (0.44) CYP2C9CYP3A4CYP2C19SIGMAR1TAS1R3
SCHEMBL1018455 0.79 CYP3A4 (0.44) CYP2C9CYP3A4CYP2C19SIGMAR1TAS1R3
SCHEMBL25855749 0.79 CYP3A4 (0.44) CYP2C9CYP3A4CYP2C19SIGMAR1TAS1R3

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-119841829-A Compounds for the treatment of PI3K gamma mediated diseases and uses thereof 中国科学院合肥物质科学研究院 2025-04-18 CN disclosed