SCHEMBL23218633

SCHEMBL23218633

CCOC(=O)Cc1ccc(OC)cc1OCc1c(C)oc2ccc(-c3cccc(C#N)c3O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
HIF1A Q16665 1/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 3/20 0.35
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
PTGS2 P35354 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
FPR1 P21462 2/20 0.33
ANO1 Q5XXA6 1/20 0.33

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
SCHEMBL29853105 1.00 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP3A4CYP2C9USP2
SCHEMBL23218232 0.88 TSHR (0.40) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL29852543 0.88 TSHR (0.40) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL23218130 0.84 TSHR (0.39) ALDH1A1CYP1A2CYP3A4CYP2C9HSD17B10
SCHEMBL23218394 0.84 TSHR (0.38) ALDH1A1CYP1A2CYP3A4CYP2C9USP2
SCHEMBL29852953 0.83 TSHR (0.40) ALDH1A1LMNATSHRKDM4EMEN1
SCHEMBL23218205 0.83 TSHR (0.40) ALDH1A1LMNATSHRKDM4EMEN1
SCHEMBL29852791 0.81 CFD (0.43) ALDH1A1LMNATSHRKDM4EMEN1
SCHEMBL23218533 0.81 CFD (0.43) ALDH1A1LMNATSHRKDM4EMEN1
SCHEMBL29122740 0.80 TSHR (0.40) ALDH1A1CYP1A2CYP3A4CYP2C9USP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 CN disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed