SCHEMBL23607754

SCHEMBL23607754

CC(C)(C)N(Cc1cc(F)cc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.36
F11 P03951 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
LMNA P02545 4/20 0.36
LIPG Q9Y5X9 4/20 0.35
TSHR P16473 1/20 0.35
LPL P06858 3/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CXCR2 P25025 1/20 0.34
HTT P42858 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
P4HB P07237 1/20 0.33
ROCK1 Q13464 1/20 0.32
FFAR1 O14842 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL25366796 0.83 LMNA (0.38) F2F11PRSS1PRSS2PRSS3
SCHEMBL23607748 0.81 LIPG (0.49) F2F11PRSS1PRSS2PRSS3
SCHEMBL30413431 0.74 CA1 (0.43) F2F11PRSS1PRSS2PRSS3
SCHEMBL16396475 0.74 CA1 (0.43) F2F11PRSS1PRSS2PRSS3
SCHEMBL1283942 0.74 DGAT1 (0.44) F2F11PRSS1PRSS2PRSS3
SCHEMBL15000479 0.74 LIPG (0.45) F2F11PRSS1PRSS2PRSS3
SCHEMBL25284945 0.74 F11 (0.40) F2F11PRSS1PRSS2PRSS3
SCHEMBL30464597 0.74 F11 (0.40) F2F11PRSS1PRSS2PRSS3
SCHEMBL1362550 0.73 MEN1 (0.42) LMNATSHRMEN1KMT2AHTT
SCHEMBL18497287 0.73 AAK1 (0.40) F2F11PRSS1PRSS2PRSS3

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
EP-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 EP disclosed