SCHEMBL23218090

SCHEMBL23218090

CCOC(=O)Cc1ccccc1OCc1c(CCO)oc2ccc(Br)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
MAPT P10636 4/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.36
ALOX5 P09917 4/20 0.36
CFD P00746 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
PKM P14618 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL23218653 0.94 TBXAS1 (0.39) TBXAS1CA12CA9MAPTTSHR
SCHEMBL29853101 0.94 TBXAS1 (0.39) TBXAS1CA12CA9MAPTTSHR
SCHEMBL29853270 0.93 TBXAS1 (0.39) TBXAS1CA12CA9MAPTTSHR
SCHEMBL29591417 0.93 TBXAS1 (0.39) TBXAS1CA12CA9MAPTTSHR
SCHEMBL23218810 0.93 TBXAS1 (0.39) TBXAS1CA12CA9MAPTTSHR
SCHEMBL23218330 0.92 TBXAS1 (0.40) TBXAS1CA12CA9MAPTTSHR
SCHEMBL29853121 0.91 TBXAS1 (0.39) TBXAS1CA12CA9MAPTTSHR
SCHEMBL23218582 0.91 TBXAS1 (0.39) TBXAS1CA12CA9MAPTTSHR
SCHEMBL23218141 0.88 TSHR (0.39) CA12CA9MAPTTSHRMTNR1A
SCHEMBL23219259 0.88 TBXAS1 (0.41) TBXAS1CA12CA9MAPTTSHR

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