SCHEMBL29853086

SCHEMBL29853086

CCOC(=O)Cc1ccccc1OCc1cccc2oc(-c3cccc(CN)c3OC)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.41
DPP4 P27487 2/20 0.39
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 6/20 0.38
HPGD P15428 6/20 0.38
TSHR P16473 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C19 P33261 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
NPC1 O15118 1/20 0.38
GMNN O75496 1/20 0.38
RAF1 P04049 1/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL23218279 1.00 CFD (0.41) CFDDPP4ALOX5ALDH1A1HPGD
SCHEMBL29852955 0.90 DPP4 (0.42) CFDDPP4ALOX5ALDH1A1HPGD
SCHEMBL23218076 0.90 DPP4 (0.42) CFDDPP4ALOX5ALDH1A1HPGD
SCHEMBL29592859 0.89 CFD (0.46) CFDALDH1A1HPGDTSHRCYP3A4
SCHEMBL23218510 0.89 CFD (0.46) CFDALDH1A1HPGDTSHRCYP3A4
SCHEMBL29340027 0.89 ALDH1A1 (0.40) CFDALDH1A1HPGDTSHRCYP3A4
SCHEMBL23218624 0.87 ALDH1A1 (0.38) CFDALOX5ALDH1A1HPGDTSHR
SCHEMBL29852653 0.87 ALDH1A1 (0.38) CFDALOX5ALDH1A1HPGDTSHR
SCHEMBL23218363 0.83 TBXAS1 (0.37) CFDDPP4ALOX5ALDH1A1HPGD
SCHEMBL29852490 0.83 TBXAS1 (0.37) CFDDPP4ALOX5ALDH1A1HPGD

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