SCHEMBL29853099

SCHEMBL29853099

CCOC(=O)Cc1ccccc1OCCc1cc2cc(COc3ccccc3CC(=O)OCC)cc(Br)c2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.43
CFD P00746 7/20 0.41
PRMT5 O14744 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
MAOB P27338 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
F11 P03951 1/20 0.35
KLKB1 P03952 1/20 0.35
F7 P08709 1/20 0.35
TPSB2 P20231 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL23218765 1.00 TBXAS1 (0.43) TBXAS1CFDPRMT5PTGER1PTGER4
SCHEMBL25881261 0.94 CFD (0.41) TBXAS1CFDPRMT5PTGER1PTGER4
SCHEMBL29853076 0.94 CFD (0.40) TBXAS1CFDPRMT5PTGER1PTGER4
SCHEMBL23218248 0.94 CFD (0.40) TBXAS1CFDPRMT5PTGER1PTGER4
SCHEMBL21438073 0.91 TBXAS1 (0.40) TBXAS1CFDPRMT5PTGER1PTGER4
SCHEMBL29852799 0.91 TBXAS1 (0.40) TBXAS1CFDPRMT5PTGER1PTGER4
SCHEMBL21437875 0.91 CFD (0.41) TBXAS1CFDPRMT5PTGER1PTGER4
SCHEMBL21437602 0.88 TBXAS1 (0.43) TBXAS1CFDPRMT5PTGER1PTGER4
SCHEMBL21439279 0.88 TBXAS1 (0.39) TBXAS1CFDPRMT5MAOBALDH1A1
SCHEMBL21438612 0.87 CFD (0.42) TBXAS1CFDPRMT5PTGER1MAOB

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