SCHEMBL29853074

SCHEMBL29853074

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.37
MTNR1B P49286 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TBXAS1 P24557 1/20 0.31
LMNA P02545 1/20 0.31
RORC P51449 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CFD P00746 2/20 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
SCHEMBL23218702 1.00 MTNR1A (0.37) MTNR1AMTNR1BL3MBTL1ALDH1A1MEN1
SCHEMBL29853229 0.87 MTNR1A (0.37) MTNR1AMTNR1BL3MBTL1ALDH1A1MEN1
SCHEMBL23218235 0.87 MTNR1A (0.37) MTNR1AMTNR1BL3MBTL1ALDH1A1MEN1
SCHEMBL23219131 0.87 MTNR1A (0.37) MTNR1AMTNR1BL3MBTL1MEN1KMT2A
SCHEMBL29852925 0.85 TBXAS1 (0.38) MTNR1AMTNR1BL3MBTL1ALDH1A1MEN1
SCHEMBL23219011 0.85 TBXAS1 (0.38) MTNR1AMTNR1BL3MBTL1ALDH1A1MEN1
SCHEMBL23218234 0.85 MTNR1A (0.38) MTNR1AMTNR1BL3MBTL1ALDH1A1KMT2A
SCHEMBL23218513 0.85 MTNR1A (0.36) MTNR1AMTNR1BL3MBTL1ALDH1A1MEN1
SCHEMBL23218512 0.85 MTNR1A (0.36) MTNR1AMTNR1BL3MBTL1ALDH1A1LMNA
SCHEMBL29852636 0.85 MTNR1A (0.36) MTNR1AMTNR1BL3MBTL1ALDH1A1LMNA

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-4041238-A1 ORAL COMPLEMENT FACTOR D INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-08-17 EP disclosed