SCHEMBL23218513

SCHEMBL23218513

CC(C)(C)OC(=O)Cc1ccccc1OCc1cc2cc(CCO)cc(I)c2o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
CFD P00746 8/20 0.34
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TPSB2 P20231 3/20 0.31
KMT2A Q03164 3/20 0.31
F11 P03951 2/20 0.31
MEN1 O00255 1/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
KLKB1 P03952 1/20 0.31
F7 P08709 1/20 0.31
FFAR1 O14842 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
RORC P51449 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
SCHEMBL29853229 0.93 MTNR1A (0.37) MTNR1AMTNR1BCFDALDH1A1LMNA
SCHEMBL23218235 0.93 MTNR1A (0.37) MTNR1AMTNR1BCFDALDH1A1LMNA
SCHEMBL29852443 0.88 CFD (0.37) MTNR1AMTNR1BCFDALDH1A1LMNA
SCHEMBL23218573 0.88 CFD (0.37) MTNR1AMTNR1BCFDALDH1A1LMNA
SCHEMBL29852925 0.88 TBXAS1 (0.38) MTNR1AMTNR1BCFDALDH1A1LMNA
SCHEMBL23219011 0.88 TBXAS1 (0.38) MTNR1AMTNR1BCFDALDH1A1LMNA
SCHEMBL29853074 0.85 MTNR1A (0.37) MTNR1AMTNR1BCFDALDH1A1LMNA
SCHEMBL23219131 0.85 MTNR1A (0.37) MTNR1AMTNR1BCFDLMNAL3MBTL1
SCHEMBL23218702 0.85 MTNR1A (0.37) MTNR1AMTNR1BCFDALDH1A1LMNA
SCHEMBL28772715 0.85 CFD (0.35) MTNR1AMTNR1BCFDTPSB2F11

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-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed