SCHEMBL30488173

SCHEMBL30488173

CC(C)N(C(=O)c1cnc(C(F)(F)F)cc1C=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
SLC6A9 P48067 1/20 0.32
MLYCD O95822 1/20 0.32
ATF1 P18846 1/20 0.32
NFKB1 P19838 1/20 0.32
HPGD P15428 2/20 0.31
MCOLN3 Q8TDD5 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
SCN9A Q15858 1/20 0.31
KDM4E B2RXH2 3/20 0.30
ALDH1A1 P00352 3/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
POLB P06746 1/20 0.30
ABL1 P00519 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
SCHEMBL14107445 1.00 TSHR (0.33) TSHRSLC6A9MLYCDATF1NFKB1
SCHEMBL903465 0.79 PKM (0.37) TSHRHPGDMCOLN3NPSR1KDM4E
SCHEMBL30488144 0.78 NR1H2 (0.36) TSHRMLYCDATF1NFKB1NPSR1
SCHEMBL14107459 0.78 NR1H2 (0.36) TSHRMLYCDATF1NFKB1NPSR1
SCHEMBL14107454 0.70 MLYCD (0.52) MLYCDHPGDMCOLN3NPSR1KDM4E
SCHEMBL5787508 0.70 SIRT3 (0.37) TSHRHPGDMCOLN3NPSR1KDM4E
SCHEMBL31462730 0.70 TRPV4 (0.34) TSHRHPGDKDM4EALDH1A1LMNA
SCHEMBL3873731 0.69 HDAC8 (0.39) HPGDALDH1A1
SCHEMBL2490048 0.69 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL30686033 0.68 SRC (0.44) TSHRHPGDMCOLN3NPSR1KDM4E

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-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed