SCHEMBL23788326

SCHEMBL23788326

CCc1cc2c(cc1OC)OC(C1COC1)C1=C2CCCCC(=O)/C(C(=O)O)=C\1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSD17B1 P14061 1/20 0.31

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
SCHEMBL23788536 0.90 LTB4R (0.32) PPARG
SCHEMBL23788479 0.83 PPARG (0.32) PPARGMEN1KMT2ACES2CES1
SCHEMBL23788643 0.78 IRAK4 (0.31)
SCHEMBL23788332 0.76
SCHEMBL23788330 0.76 LTB4R (0.32)
SCHEMBL23788629 0.75 LTB4R (0.32)
SCHEMBL23788601 0.74 LTB4R (0.30)
SCHEMBL23788466 0.74 KDM4E (0.32) PPARGMEN1KMT2ACES2CES1
SCHEMBL23788474 0.74 IRAK4 (0.32)
SCHEMBL23788553 0.73

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-3720857-B1 2-OXO-5H-CHROMENO[4,3-B]PYRIDINES FOR USE IN THE TREATMENT OF HEPATITIS B GALAPAGOS NV (BE) 2021-09-08 EP disclosed